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Home Other Building Blocks 3-(4-carbamoylphenyl)propanoic acid

3-(4-carbamoylphenyl)propanoic acid

CAS No.:
1018600-38-8
Catalog Number:
AG01AMA5
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG01AMA5
Chemical Name:
3-(4-carbamoylphenyl)propanoic acid
CAS Number:
1018600-38-8
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD10037135
IUPAC Name:
3-(4-carbamoylphenyl)propanoic acid
InChI:
InChI=1S/C10H11NO3/c11-10(14)8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5H,3,6H2,(H2,11,14)(H,12,13)
InChI Key:
AMGMGROSBGZBCX-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)C(=O)N
Properties
Complexity:
219  
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:
4  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Regression of Dalton's lymphoma in vivo via decline in lactate dehydrogenase and induction of apoptosis by a ruthenium(II)-complex containing 4-carboxy N-ethylbenzamide as ligand. Investigational new drugs 20091201
Properties