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Home > Nitro Compounds > 507227-92-1
507227-92-1 | 2-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CAS No: 507227-92-1 Catalog No: AG019KFK MDL No:MFCD02712651
Product Description
Catalog Number:
AG019KFK
Chemical Name:
2-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CAS Number:
507227-92-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD02712651
IUPAC Name:
2-[(3-nitrophenyl)methylidene]cyclopentan-1-one
InChI:
InChI=1S/C12H11NO3/c14-12-6-2-4-10(12)7-9-3-1-5-11(8-9)13(15)16/h1,3,5,7-8H,2,4,6H2
InChI Key:
RILSEHNFNGMDTL-UHFFFAOYSA-N
SMILES:
O=C1CCCC1=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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