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Home > Nitro Compounds > 98953-18-5
98953-18-5 | 3-(4-nitrophenyl)propanamide
CAS No: 98953-18-5 Catalog No: AG01DDXR MDL No:MFCD00126836
Product Description
Catalog Number:
AG01DDXR
Chemical Name:
3-(4-nitrophenyl)propanamide
CAS Number:
98953-18-5
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD00126836
IUPAC Name:
3-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C9H10N2O3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-2,4-5H,3,6H2,(H2,10,12)
InChI Key:
HHXQJALCZVMXQS-UHFFFAOYSA-N
SMILES:
NC(=O)CCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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