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87044-50-6 | 3-Oxepanol, 3,7-dimethyl-
CAS No: 87044-50-6 Catalog No: AG004JWP MDL No:
Product Description
Catalog Number:
AG004JWP
Chemical Name:
3-Oxepanol, 3,7-dimethyl-
CAS Number:
87044-50-6
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
3,7-dimethyloxepan-3-ol
InChI:
InChI=1S/C8H16O2/c1-7-4-3-5-8(2,9)6-10-7/h7,9H,3-6H2,1-2H3
InChI Key:
OYXCTVXXUDRCJD-UHFFFAOYSA-N
SMILES:
CC1CCCC(CO1)(C)O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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