CAS
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4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid
Catalog Number
ACMA00002267
Category
Ethers
Molecular Weight
238.24
Molecular Formula
C12H14O4
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Specification
Hazard Statements
H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The molecular formula is C12H14O5.
What is the molecular weight of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The molecular weight is 238.24 g/mol.
What is the IUPAC name of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The IUPAC name is 4-(2,3-dimethoxyphenyl)-4-oxobutanoic acid.
What is the InChI of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The InChI is InChI=1S/C12H14O5/c1-16-10-5-3-4-8(12(10)17-2)9(13)6-7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15).
What is the InChIKey of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The InChIKey is QUWHEXSRYUEKHA-UHFFFAOYSA-N.
What is the canonical SMILES of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The canonical SMILES is COC1=CC=CC(=C1OC)C(=O)CCC(=O)O.
What is the CAS number of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The CAS number is 898792-27-3.
What is the XLogP3-AA value of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The XLogP3-AA value is 1.
What is the hydrogen bond donor count of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The hydrogen bond donor count is 1.
What is the hydrogen bond acceptor count of 4-(2,3-Dimethoxyphenyl)-4-oxobutyric acid?
The hydrogen bond acceptor count is 5.
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