200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 127510-98-9
127510-98-9 | Benzoic acid, 2-cyano-6-methyl-, methyl ester
CAS No: 127510-98-9 Catalog No: AG000X5Q MDL No:
Product Description
Catalog Number:
AG000X5Q
Chemical Name:
Benzoic acid, 2-cyano-6-methyl-, methyl ester
CAS Number:
127510-98-9
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
methyl 2-cyano-6-methylbenzoate
InChI:
InChI=1S/C10H9NO2/c1-7-4-3-5-8(6-11)9(7)10(12)13-2/h3-5H,1-2H3
InChI Key:
OVCFEGUYKGFRQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cccc1C#N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.