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89171-70-0 | 1,4-Octadien-3-one, 1-hydroxy-7-methyl-
CAS No: 89171-70-0 Catalog No: AG003WLO MDL No:
Product Description
Catalog Number:
AG003WLO
Chemical Name:
1,4-Octadien-3-one, 1-hydroxy-7-methyl-
CAS Number:
89171-70-0
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
1-hydroxy-7-methylocta-1,4-dien-3-one
InChI:
InChI=1S/C9H14O2/c1-8(2)4-3-5-9(11)6-7-10/h3,5-8,10H,4H2,1-2H3
InChI Key:
PMWGCQSKMHBFIW-UHFFFAOYSA-N
SMILES:
OC=CC(=O)C=CCC(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.4
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