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Home > Nitro Compounds > 696640-58-1
696640-58-1 | 1-(2-methoxy-5-nitrobenzyl)pyrrolidin-2-one
CAS No: 696640-58-1 Catalog No: AG00J77N MDL No:MFCD04190901
Product Description
Catalog Number:
AG00J77N
Chemical Name:
1-(2-methoxy-5-nitrobenzyl)pyrrolidin-2-one
CAS Number:
696640-58-1
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD04190901
IUPAC Name:
1-[(2-methoxy-5-nitrophenyl)methyl]pyrrolidin-2-one
InChI:
InChI=1S/C12H14N2O4/c1-18-11-5-4-10(14(16)17)7-9(11)8-13-6-2-3-12(13)15/h4-5,7H,2-3,6,8H2,1H3
InChI Key:
AJGPOSFCRQRXJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CN1CCCC1=O)[N+](=O)[O-]
Properties
Complexity:
329
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:
1.1
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