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1135818-89-1 | Benzeneacetic acid, α-amino-4-(2-pyridinyl)-, hydrochloride (1:1)
CAS No: 1135818-89-1 Catalog No: AG00091P MDL No:MFCD07371460
Product Description
Catalog Number:
AG00091P
Chemical Name:
Benzeneacetic acid, α-amino-4-(2-pyridinyl)-, hydrochloride (1:1)
CAS Number:
1135818-89-1
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
MDL Number:
MFCD07371460
IUPAC Name:
2-amino-2-(4-pyridin-2-ylphenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C13H12N2O2.ClH/c14-12(13(16)17)10-6-4-9(5-7-10)11-3-1-2-8-15-11;/h1-8,12H,14H2,(H,16,17);1H
InChI Key:
GKXPBGOAJCCGJQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)c1ccccn1)N.Cl
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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