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15099-85-1 | Benzenebutanoic acid, β-amino-
CAS No: 15099-85-1 Catalog No: AG001MZD MDL No:MFCD02090626
Product Description
Catalog Number:
AG001MZD
Chemical Name:
Benzenebutanoic acid, β-amino-
CAS Number:
15099-85-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD02090626
IUPAC Name:
3-amino-4-phenylbutanoic acid
InChI:
InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)
InChI Key:
OFVBLKINTLPEGH-UHFFFAOYSA-N
SMILES:
NC(Cc1ccccc1)CC(=O)O
NSC Number:
127002
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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