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261731-66-2 | Octanediol, diethyl- (9CI)
CAS No: 261731-66-2 Catalog No: AG002S0I MDL No:
Product Description
Catalog Number:
AG002S0I
Chemical Name:
Octanediol, diethyl- (9CI)
CAS Number:
261731-66-2
Molecular Formula:
C12H26O2
Molecular Weight:
202.3336
IUPAC Name:
4-ethyldecane-3,3-diol
InChI:
InChI=1S/C12H26O2/c1-4-7-8-9-10-11(5-2)12(13,14)6-3/h11,13-14H,4-10H2,1-3H3
InChI Key:
DYXPFYWJHRUFPW-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(CC)(O)O)CC
Properties
Complexity:
132
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:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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