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204782-35-4 | 1-Pyrrolidinecarboxylic acid, (2-nitrophenyl)methyl ester
CAS No: 204782-35-4 Catalog No: AG0029PA MDL No:
Product Description
Catalog Number:
AG0029PA
Chemical Name:
1-Pyrrolidinecarboxylic acid, (2-nitrophenyl)methyl ester
CAS Number:
204782-35-4
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
(2-nitrophenyl)methyl pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H14N2O4/c15-12(13-7-3-4-8-13)18-9-10-5-1-2-6-11(10)14(16)17/h1-2,5-6H,3-4,7-9H2
InChI Key:
KCLMOUQZUNKDCO-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)OCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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