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Home > Nitro Compounds > 444777-67-7
444777-67-7 | D-Phenylalanine, 4-nitro-, monohydrate
CAS No: 444777-67-7 Catalog No: AG003A3F MDL No:MFCD00150962
Product Description
Catalog Number:
AG003A3F
Chemical Name:
D-Phenylalanine, 4-nitro-, monohydrate
CAS Number:
444777-67-7
Molecular Formula:
C9H12N2O5
Molecular Weight:
228.2020
MDL Number:
MFCD00150962
IUPAC Name:
(2R)-2-amino-3-(4-nitrophenyl)propanoic acid;hydrate
InChI:
InChI=1S/C9H10N2O4.H2O/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H2/t8-;/m1./s1
InChI Key:
OLZDHJRNUIXKLU-DDWIOCJRSA-N
SMILES:
OC(=O)[C@@H](Cc1ccc(cc1)[N+](=O)[O-])N.O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
228.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.204g/mol
Monoisotopic Mass:
228.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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