CAS
898792-42-2 Purity
96%
898792-42-2 Purity
96%
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4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid
CAS
898792-45-5
Catalog Number
ACM898792455
Category
Other Products
Molecular Weight
238.24
Molecular Formula
C12H14O5
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Specification
Synonyms
4-(2,6-DIMETHOXYPHENYL)-4-OXOBUTYRIC ACID
IUPAC Name
4-(2,6-dimethoxyphenyl)-4-oxobutanoic acid
Canonical SMILES
COC1=C(C(=CC=C1)OC)C(=O)CCC(=O)O
InChI Key
SSGFEFAIKLRWNZ-UHFFFAOYSA-N
Boiling Point
429.3ºC at 760 mmHg
Flash Point
166.1ºC
Density
1.211g/cm³
Exact Mass
238.08400
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid?
The molecular formula is C12H14O5.
What is the molecular weight of 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid?
The molecular weight is 238.24 g/mol.
What is the IUPAC name of 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid?
The IUPAC name is 4-(2,6-dimethoxyphenyl)-4-oxobutanoic acid.
What is the InChI of 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid?
The InChI is InChI=1S/C12H14O5/c1-16-9-4-3-5-10(17-2)12(9)8(13)6-7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15).
What is the InChIKey of 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid?
The InChIKey is SSGFEFAIKLRWNZ-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid?
The Canonical SMILES is COC1=C(C(=CC=C1)OC)C(=O)CCC(=O)O.
How many hydrogen bond donor counts does 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid have?
It has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid?
The topological polar surface area is 72.8 Ų.
Is 4-(2,6-Dimethoxyphenyl)-4-oxobutyric acid a canonicalized compound?
Yes, it is a canonicalized compound.
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