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14435-21-3 | 1,6-Cyclododecanediol
CAS No: 14435-21-3 Catalog No: AG001JE1 MDL No:
Product Description
Catalog Number:
AG001JE1
Chemical Name:
1,6-Cyclododecanediol
CAS Number:
14435-21-3
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
cyclododecane-1,6-diol
InChI:
InChI=1S/C12H24O2/c13-11-7-3-1-2-4-8-12(14)10-6-5-9-11/h11-14H,1-10H2
InChI Key:
CZODBJMRPLCCEC-UHFFFAOYSA-N
SMILES:
OC1CCCCC(O)CCCCCC1
Properties
Complexity:
120
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:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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