cis-2-Butene-1,4-diol

• Catalog Number: ACM-MO-6117802
• Product Name: cis-2-Butene-1,4-diol
• CAS: 6117-80-2
• Category: Alkenes
• Description: Liquid
• Synonyms: cis-1,4-Dihydroxy-2-butene
• IUPAC Name: (Z)-but-2-ene-1,4-diol
• Molecular Weight: 88.11 g/mol
• Molecular Formula: C4H8O2
• Canonical SMILES: C(/C=C\CO)O
• InChI: InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
• InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N
• Boiling Point: 235 °C
• Melting Point: 7 °C
• Flash Point: 128 °C
• Density: 1.067-1.074
• Solubility: VERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE
• Appearance: Colorless to Light Yellow Clear Liquid
• Color/Form: ALMOST COLORLESS LIQUID
• Complexity: 34.8
• Covalently-Bonded Unit Count: 1
• EC Number: 228-085-1;203-787-0
• Exact Mass: 88.052429g/mol
• Formal Charge: 0
• Hazard Statements: H225-H314
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 6
• Monoisotopic Mass: 88.052429g/mol
• NSC Number: 1260;976
• Odor: ODORLESS
• Other Experimental: IR: 15610 (Sadtler Research Laboratories IR Grating Collection) /2-Butene-1,4 diol (cis)/;NMR: 9540 (Sadtler Research Laboratories Spectral Collection) /2-Butene-1,4 diol (cis)/;MASS: 48 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /2-Butene-1,4 diol (cis)/;MASS: 48 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63) /2-Butene-1,4 diol (trans)/
• Physical State: Liquid
• Refractive Index: 1.48
• RIDADR: UN 2460 3 / PGII
• Rotatable Bond Count: 2
• SpecificGravity: 1.08
• Symbol: GHS02
• UNII: ZA7VGU6SCV
• Vapor Density: 3.0 (AIR= 1)
• XLogP3: -0.8

Custom Q&A

What is the molecular formula of cis-2-Butene-1,4-diol?

The molecular formula of cis-2-Butene-1,4-diol is C4H8O2.

What is the molecular weight of cis-2-Butene-1,4-diol?

The molecular weight of cis-2-Butene-1,4-diol is 88.11 g/mol.

What is the IUPAC name of cis-2-Butene-1,4-diol?

The IUPAC name of cis-2-Butene-1,4-diol is (Z)-but-2-ene-1,4-diol.

What is the InChI of cis-2-Butene-1,4-diol?

The InChI of cis-2-Butene-1,4-diol is InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-.

What is the InChIKey of cis-2-Butene-1,4-diol?

The InChIKey of cis-2-Butene-1,4-diol is ORTVZLZNOYNASJ-UPHRSURJSA-N.

What is the canonical SMILES of cis-2-Butene-1,4-diol?

The canonical SMILES of cis-2-Butene-1,4-diol is C(C=CCO)O.

How many hydrogen bond donor counts does cis-2-Butene-1,4-diol have?

cis-2-Butene-1,4-diol has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does cis-2-Butene-1,4-diol have?

cis-2-Butene-1,4-diol has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of cis-2-Butene-1,4-diol?

The topological polar surface area of cis-2-Butene-1,4-diol is 40.5Ų.

How many defined bond stereocenter counts does cis-2-Butene-1,4-diol have?

cis-2-Butene-1,4-diol has 1 defined bond stereocenter count.