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Home > Nitro Compounds > 331462-26-1
331462-26-1 | (2E)-N-dodecyl-3-(3-nitrophenyl)prop-2-enamide
CAS No: 331462-26-1 Catalog No: AG00IZNK MDL No:MFCD00169797
Product Description
Catalog Number:
AG00IZNK
Chemical Name:
(2E)-N-dodecyl-3-(3-nitrophenyl)prop-2-enamide
CAS Number:
331462-26-1
Molecular Formula:
C21H32N2O3
Molecular Weight:
360.4904
MDL Number:
MFCD00169797
IUPAC Name:
N-dodecyl-3-(3-nitrophenyl)prop-2-enamide
InChI:
InChI=1S/C21H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-22-21(24)16-15-19-13-12-14-20(18-19)23(25)26/h12-16,18H,2-11,17H2,1H3,(H,22,24)
InChI Key:
QWCRNQDDHOHARC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.498g/mol
Monoisotopic Mass:
360.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7
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