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1624261-50-2 | Benzeneacetic acid, 4-(aminocarbonyl)-α-methyl-
CAS No: 1624261-50-2 Catalog No: AG001T4N MDL No:
Product Description
Catalog Number:
AG001T4N
Chemical Name:
Benzeneacetic acid, 4-(aminocarbonyl)-α-methyl-
CAS Number:
1624261-50-2
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
2-(4-carbamoylphenyl)propanoic acid
InChI:
InChI=1S/C10H11NO3/c1-6(10(13)14)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H2,11,12)(H,13,14)
InChI Key:
MUWUEBLDZNJSQR-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(=O)N)C(=O)O
Properties
Complexity:
232
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:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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