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Home > Nitro Compounds > 19883-74-0
19883-74-0 | L-Phenylalanine, 3-nitro-
CAS No: 19883-74-0 Catalog No: AG002BRL MDL No:MFCD00270360
Product Description
Catalog Number:
AG002BRL
Chemical Name:
L-Phenylalanine, 3-nitro-
CAS Number:
19883-74-0
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD00270360
IUPAC Name:
(2S)-2-amino-3-(3-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChI Key:
YTHDRUZHNYKZGF-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
210.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.189g/mol
Monoisotopic Mass:
210.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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