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115920-54-2 | 9-Undecene-2,6-diol, 10-methyl-
CAS No: 115920-54-2 Catalog No: AG000H4I MDL No:
Product Description
Catalog Number:
AG000H4I
Chemical Name:
9-Undecene-2,6-diol, 10-methyl-
CAS Number:
115920-54-2
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
10-methylundec-9-ene-2,6-diol
InChI:
InChI=1S/C12H24O2/c1-10(2)6-4-8-12(14)9-5-7-11(3)13/h6,11-14H,4-5,7-9H2,1-3H3
InChI Key:
UPOHMIHTHXNVCR-UHFFFAOYSA-N
SMILES:
OC(CCC=C(C)C)CCCC(O)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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