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Home > Nitro Compounds > 831179-74-9
831179-74-9 | 2-Propenoic acid, 3-(3,5-dinitrophenyl)-, 2-propenyl ester, (2E)-
CAS No: 831179-74-9 Catalog No: AG005BB3 MDL No:
Product Description
Catalog Number:
AG005BB3
Chemical Name:
2-Propenoic acid, 3-(3,5-dinitrophenyl)-, 2-propenyl ester, (2E)-
CAS Number:
831179-74-9
Molecular Formula:
C12H10N2O6
Molecular Weight:
278.2176
IUPAC Name:
prop-2-enyl (E)-3-(3,5-dinitrophenyl)prop-2-enoate
InChI:
InChI=1S/C12H10N2O6/c1-2-5-20-12(15)4-3-9-6-10(13(16)17)8-11(7-9)14(18)19/h2-4,6-8H,1,5H2/b4-3+
InChI Key:
WAZVOJXJEAQSTA-ONEGZZNKSA-N
SMILES:
C=CCOC(=O)/C=C/c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
278.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.22g/mol
Monoisotopic Mass:
278.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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