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Home > Nitro Compounds > 117336-49-9
117336-49-9 | L-Serine, N-[[(4-nitrophenyl)methoxy]carbonyl]-
CAS No: 117336-49-9 Catalog No: AG000E5Z MDL No:
Product Description
Catalog Number:
AG000E5Z
Chemical Name:
L-Serine, N-[[(4-nitrophenyl)methoxy]carbonyl]-
CAS Number:
117336-49-9
Molecular Formula:
C11H12N2O7
Molecular Weight:
284.2222
IUPAC Name:
(2S)-3-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid
InChI:
InChI=1S/C11H12N2O7/c14-5-9(10(15)16)12-11(17)20-6-7-1-3-8(4-2-7)13(18)19/h1-4,9,14H,5-6H2,(H,12,17)(H,15,16)/t9-/m0/s1
InChI Key:
PWRYFWOONBQNDD-VIFPVBQESA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.224g/mol
Monoisotopic Mass:
284.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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