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80997-87-1 | 2-AMINO-3-PHENYLBUTANOIC ACID HYDROCHLORIDE
CAS No: 80997-87-1 Catalog No: AG003334 MDL No:MFCD00012623
Product Description
Catalog Number:
AG003334
Chemical Name:
2-AMINO-3-PHENYLBUTANOIC ACID HYDROCHLORIDE
CAS Number:
80997-87-1
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD00012623
IUPAC Name:
2-amino-3-phenylbutanoic acid;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-7(9(11)10(12)13)8-5-3-2-4-6-8;/h2-7,9H,11H2,1H3,(H,12,13);1H
InChI Key:
SGKWQBMDOXGYAA-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)N)c1ccccc1.Cl
EC Number:
279-646-2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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