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Home > Nitro Compounds > 81676-58-6
81676-58-6 | 2-Propenoic acid, 3-(4-nitrophenyl)-, 1-methylethyl ester
CAS No: 81676-58-6 Catalog No: AG005JF5 MDL No:
Product Description
Catalog Number:
AG005JF5
Chemical Name:
2-Propenoic acid, 3-(4-nitrophenyl)-, 1-methylethyl ester
CAS Number:
81676-58-6
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
propan-2-yl 3-(4-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C12H13NO4/c1-9(2)17-12(14)8-5-10-3-6-11(7-4-10)13(15)16/h3-9H,1-2H3
InChI Key:
DXARYHOQVDCSKB-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C=Cc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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