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Home > Nitro Compounds > 89449-85-4
89449-85-4 | 8-Decen-3-ol, 5,9-dimethyl-2-nitro-
CAS No: 89449-85-4 Catalog No: AG0044EE MDL No:
Product Description
Catalog Number:
AG0044EE
Chemical Name:
8-Decen-3-ol, 5,9-dimethyl-2-nitro-
CAS Number:
89449-85-4
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
IUPAC Name:
5,9-dimethyl-2-nitrodec-8-en-3-ol
InChI:
InChI=1S/C12H23NO3/c1-9(2)6-5-7-10(3)8-12(14)11(4)13(15)16/h6,10-12,14H,5,7-8H2,1-4H3
InChI Key:
MFRZLSOAYVTTME-UHFFFAOYSA-N
SMILES:
CC(CC(C([N+](=O)[O-])C)O)CCC=C(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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