CAS
97845-60-8 Purity
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97845-60-8 Purity
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3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid
CAS
97852-94-3
Catalog Number
ACM97852943
Category
Other Products
Molecular Weight
240.276
Molecular Formula
C11H12O4S
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Specification
Synonyms
MolPort-002-046-133, AKY-A1230-3788, CID5396333, 3-(3,4-dimethoxyphenyl)-2-sulfanyl-prop-2-enoic Acid, 97852-94-3
IUPAC Name
(Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid
Canonical SMILES
COC1=C(C=C(C=C1)C=C(C(=O)O)S)OC
InChI Key
CBSSDYIFWLVFGD-POHAHGRESA-N
Exact Mass
240.04600
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C11H12O4S.
What are the synonyms of the compound?
The synonyms of the compound are:
97852-94-3
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-2-mercapto-
3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid
SCHEMBL9130918
(Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid
What is the molecular weight of the compound?
The molecular weight of the compound is 240.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (Z)-3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is CBSSDYIFWLVFGD-POHAHGRESA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC1=C(C=C(C=C1)C=C(C(=O)O)S)OC.
What is the CAS number of the compound?
The CAS number of the compound is 97852-94-3.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 1.8.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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