CAS
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3-Formylphenyl butyrate
Catalog Number
ACMA00002177
Category
Ethers
Molecular Weight
192.21
Molecular Formula
C11H11NO5
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Specification
Hazard Statements
H301
RIDADR
NONH for all modes of transport
Symbol
GHS06
What is the molecular formula of 3-formylphenyl butyrate?
The molecular formula of 3-formylphenyl butyrate is C11H12O3.
What is the molecular weight of 3-formylphenyl butyrate?
The molecular weight of 3-formylphenyl butyrate is 192.21 g/mol.
What is the IUPAC name of 3-formylphenyl butyrate?
The IUPAC name of 3-formylphenyl butyrate is (3-formylphenyl) butanoate.
What is the InChI of 3-formylphenyl butyrate?
The InChI of 3-formylphenyl butyrate is InChI=1S/C11H12O3/c1-2-4-11(13)14-10-6-3-5-9(7-10)8-12/h3,5-8H,2,4H2,1H3.
What is the InChIKey of 3-formylphenyl butyrate?
The InChIKey of 3-formylphenyl butyrate is XNYMVJXQAYUDBX-UHFFFAOYSA-N.
What is the canonical SMILES of 3-formylphenyl butyrate?
The canonical SMILES of 3-formylphenyl butyrate is CCCC(=O)OC1=CC=CC(=C1)C=O.
What is the XLogP3 value of 3-formylphenyl butyrate?
The XLogP3 value of 3-formylphenyl butyrate is 1.9.
How many hydrogen bond donor counts does 3-formylphenyl butyrate have?
3-formylphenyl butyrate has zero hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 3-formylphenyl butyrate have?
3-formylphenyl butyrate has three hydrogen bond acceptor counts.
How many rotatable bond counts does 3-formylphenyl butyrate have?
3-formylphenyl butyrate has five rotatable bond counts.
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