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Home > Nitro Compounds > 113482-47-6
113482-47-6 | 10-Undecenoic acid, 11-nitro-, methyl ester
CAS No: 113482-47-6 Catalog No: AG0008Q9 MDL No:
Product Description
Catalog Number:
AG0008Q9
Chemical Name:
10-Undecenoic acid, 11-nitro-, methyl ester
CAS Number:
113482-47-6
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
IUPAC Name:
methyl 11-nitroundec-10-enoate
InChI:
InChI=1S/C12H21NO4/c1-17-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h9,11H,2-8,10H2,1H3
InChI Key:
AAIIOBYIWICRGX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCC=C[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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