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137031-59-5 | 2,6-Cyclodecadien-1-one, 10-hydroxy-6-methyl-, (Z,E)- (9CI)
CAS No: 137031-59-5 Catalog No: AG0012Q2 MDL No:
Product Description
Catalog Number:
AG0012Q2
Chemical Name:
2,6-Cyclodecadien-1-one, 10-hydroxy-6-methyl-, (Z,E)- (9CI)
CAS Number:
137031-59-5
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
10-hydroxy-6-methylcyclodeca-2,6-dien-1-one
InChI:
InChI=1S/C11H16O2/c1-9-5-2-3-7-10(12)11(13)8-4-6-9/h3,6-7,11,13H,2,4-5,8H2,1H3
InChI Key:
QCXNHOQWAUTOKF-UHFFFAOYSA-N
SMILES:
C/C/1=C\CCC(O)C(=O)/C=C\CC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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