CAS
93338-23-9 Purity
96%
93338-23-9 Purity
96%
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3-Cyano-2-methylbenzoic acid methyl ester
CAS
93340-09-1
Catalog Number
ACM93340091
Category
Other Products
Molecular Weight
175.183960 [g/mol]
Molecular Formula
C10H9NO2
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Specification
Synonyms
3-Cyano-2-methylbenzoic acid methyl ester;Methyl 3-cyano-2-methylbenzoate
IUPAC Name
methyl 3-cyano-2-methylbenzoate
Canonical SMILES
CC1=C(C=CC=C1C(=O)OC)C#N
InChI Key
FHBWZNLFBLOUKX-UHFFFAOYSA-N
Exact Mass
175.06300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound mentioned in the reference?
C10H9NO2
What is the molecular weight of the compound?
175.18 g/mol
What is the IUPAC name of the compound?
Methyl 3-cyano-2-methylbenzoate
What is the CAS number of the compound?
93340-09-1
How many hydrogen bond acceptors are present in the compound?
3
What is the XLogP3-AA value of the compound?
1.9
How many rotatable bonds are there in the compound?
2
What is the exact mass of the compound?
175.063328530 g/mol
Is the compound canonicalized?
Yes
How many heavy atoms are present in the compound?
13
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