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Home > Nitro Compounds > 17116-66-4
17116-66-4 | 2-methyl-N-(3-nitrophenyl)prop-2-enamide
CAS No: 17116-66-4 Catalog No: AG00IN2G MDL No:MFCD00793371
Product Description
Catalog Number:
AG00IN2G
Chemical Name:
2-methyl-N-(3-nitrophenyl)prop-2-enamide
CAS Number:
17116-66-4
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD00793371
IUPAC Name:
2-methyl-N-(3-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C10H10N2O3/c1-7(2)10(13)11-8-4-3-5-9(6-8)12(14)15/h3-6H,1H2,2H3,(H,11,13)
InChI Key:
YBNBUAMVPCWORM-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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