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114076-24-3 | 4,9-Decadiene-1,8-diol, 4,8-dimethyl-, (E)- (9CI)
CAS No: 114076-24-3 Catalog No: AG000AHL MDL No:
Product Description
Catalog Number:
AG000AHL
Chemical Name:
4,9-Decadiene-1,8-diol, 4,8-dimethyl-, (E)- (9CI)
CAS Number:
114076-24-3
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
4,8-dimethyldeca-4,9-diene-1,8-diol
InChI:
InChI=1S/C12H22O2/c1-4-12(3,14)9-5-7-11(2)8-6-10-13/h4,7,13-14H,1,5-6,8-10H2,2-3H3
InChI Key:
QUVUXMWZBDPWME-UHFFFAOYSA-N
SMILES:
OCCC/C(=C/CCC(C=C)(O)C)/C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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