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20999-41-1 | 1,5-Dodecanediol
CAS No: 20999-41-1 Catalog No: AG002KIE MDL No:
Product Description
Catalog Number:
AG002KIE
Chemical Name:
1,5-Dodecanediol
CAS Number:
20999-41-1
Molecular Formula:
C12H26O2
Molecular Weight:
202.3336
IUPAC Name:
dodecane-1,5-diol
InChI:
InChI=1S/C12H26O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h12-14H,2-11H2,1H3
InChI Key:
CRGUYVKXAVIZEB-UHFFFAOYSA-N
SMILES:
CCCCCCCC(CCCCO)O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.193g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.338g/mol
Monoisotopic Mass:
202.193g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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