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115458-75-8 | 1,3-Undecanediol, (3S)-
CAS No: 115458-75-8 Catalog No: AG000G07 MDL No:
Product Description
Catalog Number:
AG000G07
Chemical Name:
1,3-Undecanediol, (3S)-
CAS Number:
115458-75-8
Molecular Formula:
C11H24O2
Molecular Weight:
188.3071
IUPAC Name:
undecane-1,3-diol
InChI:
InChI=1S/C11H24O2/c1-2-3-4-5-6-7-8-11(13)9-10-12/h11-13H,2-10H2,1H3
InChI Key:
CSFUNXXUTSRHPN-UHFFFAOYSA-N
SMILES:
CCCCCCCC[C@@H](CCO)O
Properties
Complexity:
94.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.178g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.311g/mol
Monoisotopic Mass:
188.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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