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79681-40-6 | 9-Decen-5-one, 10-methoxy-7,7-dimethyl-, (Z)-
CAS No: 79681-40-6 Catalog No: AG005INF MDL No:
Product Description
Catalog Number:
AG005INF
Chemical Name:
9-Decen-5-one, 10-methoxy-7,7-dimethyl-, (Z)-
CAS Number:
79681-40-6
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
10-methoxy-7,7-dimethyldec-9-en-5-one
InChI:
InChI=1S/C13H24O2/c1-5-6-8-12(14)11-13(2,3)9-7-10-15-4/h7,10H,5-6,8-9,11H2,1-4H3
InChI Key:
UXDXCGPABMVXLT-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CC(C/C=C\OC)(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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