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88744-69-8 | Cyclopropanecarboxylic acid, 1-[(2-aminobenzoyl)amino]-
CAS No: 88744-69-8 Catalog No: AG004DK2 MDL No:
Product Description
Catalog Number:
AG004DK2
Chemical Name:
Cyclopropanecarboxylic acid, 1-[(2-aminobenzoyl)amino]-
CAS Number:
88744-69-8
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
1-[(2-aminobenzoyl)amino]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c12-8-4-2-1-3-7(8)9(14)13-11(5-6-11)10(15)16/h1-4H,5-6,12H2,(H,13,14)(H,15,16)
InChI Key:
AOIRUXHYEDGMOS-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)NC(=O)c1ccccc1N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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