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89546-30-5 | 5-Decanone, 3-ethyl-3-hydroxy-4-methylene-
CAS No: 89546-30-5 Catalog No: AG0040GQ MDL No:
Product Description
Catalog Number:
AG0040GQ
Chemical Name:
5-Decanone, 3-ethyl-3-hydroxy-4-methylene-
CAS Number:
89546-30-5
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
3-ethyl-3-hydroxy-4-methylidenedecan-5-one
InChI:
InChI=1S/C13H24O2/c1-5-8-9-10-12(14)11(4)13(15,6-2)7-3/h15H,4-10H2,1-3H3
InChI Key:
XUPNWYLWTQMYHA-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C(=C)C(CC)(CC)O
Properties
Complexity:
215
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:
1
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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