200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1001055-67-9
1001055-67-9 | Benzoic acid, 4-cyano-3,5-dimethyl-, methyl ester
CAS No: 1001055-67-9 Catalog No: AG0000YF MDL No:MFCD14706413
Product Description
Catalog Number:
AG0000YF
Chemical Name:
Benzoic acid, 4-cyano-3,5-dimethyl-, methyl ester
CAS Number:
1001055-67-9
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD14706413
IUPAC Name:
methyl 4-cyano-3,5-dimethylbenzoate
InChI:
InChI=1S/C11H11NO2/c1-7-4-9(11(13)14-3)5-8(2)10(7)6-12/h4-5H,1-3H3
InChI Key:
NBYYSQWCZUFTBE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)C)C#N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.