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Home > Nitro Compounds > 2059941-98-7
2059941-98-7 | 3-cyclopropyl-2-(2-nitrophenyl)-3-oxopropanenitrile
CAS No: 2059941-98-7 Catalog No: AG01BP41 MDL No:MFCD30499847
Product Description
Catalog Number:
AG01BP41
Chemical Name:
3-cyclopropyl-2-(2-nitrophenyl)-3-oxopropanenitrile
CAS Number:
2059941-98-7
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD30499847
IUPAC Name:
3-cyclopropyl-2-(2-nitrophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C12H10N2O3/c13-7-10(12(15)8-5-6-8)9-3-1-2-4-11(9)14(16)17/h1-4,8,10H,5-6H2
InChI Key:
PBFGMAIVKBPGAT-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1[N+](=O)[O-])C(=O)C1CC1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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