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Home > Nitro Compounds > 478183-69-6
478183-69-6 | D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2-nitro-
CAS No: 478183-69-6 Catalog No: AG00I8PI MDL No:MFCD01317701
Product Description
Catalog Number:
AG00I8PI
Chemical Name:
D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2-nitro-
CAS Number:
478183-69-6
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
MDL Number:
MFCD01317701
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid
InChI:
InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m1/s1
InChI Key:
BSHMNGMAJNWNBP-SNVBAGLBSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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