200,000+ products from a single source!
sales@angenechem.com
713493-20-0 | 2-[(2-METHYLBUTANOYL)AMINO]BENZOIC ACID
CAS No: 713493-20-0 Catalog No: AG005J2M MDL No:MFCD03899923
Product Description
Catalog Number:
AG005J2M
Chemical Name:
2-[(2-METHYLBUTANOYL)AMINO]BENZOIC ACID
CAS Number:
713493-20-0
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD03899923
IUPAC Name:
2-(2-methylbutanoylamino)benzoic acid
InChI:
InChI=1S/C12H15NO3/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
XZGSYONIZSNCTM-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Nc1ccccc1C(=O)O)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.