200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1260780-98-0
1260780-98-0 | Benzoic acid, 3-methyl-4-(2-oxo-1-pyrrolidinyl)-, methyl ester
CAS No: 1260780-98-0 Catalog No: AG000R7R MDL No:MFCD15527906
Product Description
Catalog Number:
AG000R7R
Chemical Name:
Benzoic acid, 3-methyl-4-(2-oxo-1-pyrrolidinyl)-, methyl ester
CAS Number:
1260780-98-0
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD15527906
IUPAC Name:
methyl 3-methyl-4-(2-oxopyrrolidin-1-yl)benzoate
InChI:
InChI=1S/C13H15NO3/c1-9-8-10(13(16)17-2)5-6-11(9)14-7-3-4-12(14)15/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
BSFMQXXDLRVIPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)N1CCCC1=O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.