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76267-01-1 | Benzoic acid,2-[[[methyl[(methylamino)carbonyl]amino]carbonyl]amino]-
CAS No: 76267-01-1 Catalog No: AG00570H MDL No:
Product Description
Catalog Number:
AG00570H
Chemical Name:
Benzoic acid,2-[[[methyl[(methylamino)carbonyl]amino]carbonyl]amino]-
CAS Number:
76267-01-1
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
IUPAC Name:
2-[[methyl(methylcarbamoyl)carbamoyl]amino]benzoic acid
InChI:
InChI=1S/C11H13N3O4/c1-12-10(17)14(2)11(18)13-8-6-4-3-5-7(8)9(15)16/h3-6H,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChI Key:
NFTAPASXCAZNOZ-UHFFFAOYSA-N
SMILES:
CNC(=O)N(C(=O)Nc1ccccc1C(=O)O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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