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Home > Nitro Compounds > 88599-83-1
88599-83-1 | 2-Propenoic acid, 2-(acetyloxy)-3-(2-nitrophenyl)-, ethyl ester
CAS No: 88599-83-1 Catalog No: AG004CJP MDL No:
Product Description
Catalog Number:
AG004CJP
Chemical Name:
2-Propenoic acid, 2-(acetyloxy)-3-(2-nitrophenyl)-, ethyl ester
CAS Number:
88599-83-1
Molecular Formula:
C13H13NO6
Molecular Weight:
279.2454
IUPAC Name:
ethyl 2-acetyloxy-3-(2-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C13H13NO6/c1-3-19-13(16)12(20-9(2)15)8-10-6-4-5-7-11(10)14(17)18/h4-8H,3H2,1-2H3
InChI Key:
OHOKNZHGCGAZKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccccc1[N+](=O)[O-])OC(=O)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.248g/mol
Monoisotopic Mass:
279.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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