200,000+ products from a single source!
sales@angenechem.com
141801-68-5 | Benzoic acid, 3-[bis(carboxymethyl)amino]-4-methyl-
CAS No: 141801-68-5 Catalog No: AG001H77 MDL No:
Product Description
Catalog Number:
AG001H77
Chemical Name:
Benzoic acid, 3-[bis(carboxymethyl)amino]-4-methyl-
CAS Number:
141801-68-5
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
IUPAC Name:
3-[bis(carboxymethyl)amino]-4-methylbenzoic acid
InChI:
InChI=1S/C12H13NO6/c1-7-2-3-8(12(18)19)4-9(7)13(5-10(14)15)6-11(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)
InChI Key:
RVQKZXLKNHBJMK-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1cc(ccc1C)C(=O)O)CC(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.237g/mol
Monoisotopic Mass:
267.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.