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100849-70-5 | Ethanone, 2-hydroxy-1-(1-hydroxycyclohexyl)-
CAS No: 100849-70-5 Catalog No: AG00030N MDL No:MFCD11054996
Product Description
Catalog Number:
AG00030N
Chemical Name:
Ethanone, 2-hydroxy-1-(1-hydroxycyclohexyl)-
CAS Number:
100849-70-5
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD11054996
IUPAC Name:
2-hydroxy-1-(1-hydroxycyclohexyl)ethanone
InChI:
InChI=1S/C8H14O3/c9-6-7(10)8(11)4-2-1-3-5-8/h9,11H,1-6H2
InChI Key:
WDUYKKAPKIGBCK-UHFFFAOYSA-N
SMILES:
OCC(=O)C1(O)CCCCC1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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