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Home > Nitro Compounds > 88462-11-7
88462-11-7 | 6-Heptenoic acid, 6-nitro-, methyl ester
CAS No: 88462-11-7 Catalog No: AG004BWA MDL No:
Product Description
Catalog Number:
AG004BWA
Chemical Name:
6-Heptenoic acid, 6-nitro-, methyl ester
CAS Number:
88462-11-7
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
IUPAC Name:
methyl 6-nitrohept-6-enoate
InChI:
InChI=1S/C8H13NO4/c1-7(9(11)12)5-3-4-6-8(10)13-2/h1,3-6H2,2H3
InChI Key:
GKUXEMDOCLWDET-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC(=C)[N+](=O)[O-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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