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1220106-24-0 | Benzenepropanoic acid, β-amino-4-nitro-, hydrochloride (1:1)
CAS No: 1220106-24-0 Catalog No: AG0016MA MDL No:MFCD26406249
Product Description
Catalog Number:
AG0016MA
Chemical Name:
Benzenepropanoic acid, β-amino-4-nitro-, hydrochloride (1:1)
CAS Number:
1220106-24-0
Molecular Formula:
C9H11ClN2O4
Molecular Weight:
246.6476
MDL Number:
MFCD26406249
IUPAC Name:
3-amino-3-(4-nitrophenyl)propanoic acid;hydrochloride
InChI:
InChI=1S/C9H10N2O4.ClH/c10-8(5-9(12)13)6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H
InChI Key:
WCBNHYIFJFBMKB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1)[N+](=O)[O-])N.Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.647g/mol
Monoisotopic Mass:
246.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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