CAS
94248-03-0 Purity
96%
94248-03-0 Purity
96%
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3-(Butoxy-2-hydroxyphenyl)acrylic acid
CAS
94248-08-5
Catalog Number
ACM94248085
Category
Other Products
Molecular Weight
236.263740 [g/mol]
Molecular Formula
C13H16O4
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Specification
Synonyms
3-(Butoxy-2-hydroxyphenyl)acrylic acid, EINECS 304-279-2, CID6366513, 94248-08-5
IUPAC Name
(E)-3-(3-butoxy-2-hydroxyphenyl)prop-2-enoic acid
SMILES
CCCCOC1=CC=CC(=C1O)C=CC(=O)O
InChI Key
CJSJEUGOFYDQOU-BQYQJAHWSA-N
Boiling Point
403.6ºC at 760mmHg
Flash Point
152.5ºC
Density
1.199g/cm³
EC Number
304-279-2
Exact Mass
236.10500
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula is C13H16O4.
What are the synonyms of the compound?
The compound is also known as 3-(Butoxy-2-hydroxyphenyl)acrylic acid and has the CAS number 94248-08-5.
What is the molecular weight of the compound?
The molecular weight is 236.26 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (E)-3-(3-butoxy-2-hydroxyphenyl)prop-2-enoic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C13H16O4/c1-2-3-9-17-11-6-4-5-10(13(11)16)7-8-12(14)15/h4-8,16H,2-3,9H2,1H3,(H,14,15)/b8-7+.
What is the InChIKey of the compound?
The InChIKey is CJSJEUGOFYDQOU-BQYQJAHWSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCCCOC1=CC=CC(=C1O)C=CC(=O)O.
What is the isomeric SMILES of the compound?
The isomeric SMILES is CCCCOC1=CC=CC(=C1O)/C=C/C(=O)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.7.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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