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Home > Nitro Compounds > 18877-33-3
18877-33-3 | L-Proline, 1-(2-nitrobenzoyl)-
CAS No: 18877-33-3 Catalog No: AG002HA8 MDL No:MFCD09757475
Product Description
Catalog Number:
AG002HA8
Chemical Name:
L-Proline, 1-(2-nitrobenzoyl)-
CAS Number:
18877-33-3
Molecular Formula:
C12H12N2O5
Molecular Weight:
264.2341
MDL Number:
MFCD09757475
IUPAC Name:
(2S)-1-(2-nitrobenzoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H12N2O5/c15-11(13-7-3-6-10(13)12(16)17)8-4-1-2-5-9(8)14(18)19/h1-2,4-5,10H,3,6-7H2,(H,16,17)/t10-/m0/s1
InChI Key:
RYEXOGQBKUDZDQ-JTQLQIEISA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.237g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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