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Home Aminos Benzoic acid, 2-[(1-oxopropyl)amino]-

Benzoic acid, 2-[(1-oxopropyl)amino]-

CAS No.:
19165-26-5
Catalog Number:
AG002FEM
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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1g
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Product Description
Catalog Number:
AG002FEM
Chemical Name:
Benzoic acid, 2-[(1-oxopropyl)amino]-
CAS Number:
19165-26-5
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00247023
IUPAC Name:
2-(propanoylamino)benzoic acid
InChI:
InChI=1S/C10H11NO3/c1-2-9(12)11-8-6-4-3-5-7(8)10(13)14/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChI Key:
CZERPPGRNIIZJK-UHFFFAOYSA-N
SMILES:
CCC(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
2,4-Diamino-5-(4-chloro-phen-yl)-6-ethyl-pyrimidin-1-ium 2-propanamido-benzoate. Acta crystallographica. Section E, Structure reports online 20111001
Properties