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13757-06-7 | 3-Butyn-2-one, 4-(1-hydroxycyclohexyl)-
CAS No: 13757-06-7 Catalog No: AG0013KS MDL No:
Product Description
Catalog Number:
AG0013KS
Chemical Name:
3-Butyn-2-one, 4-(1-hydroxycyclohexyl)-
CAS Number:
13757-06-7
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
4-(1-hydroxycyclohexyl)but-3-yn-2-one
InChI:
InChI=1S/C10H14O2/c1-9(11)5-8-10(12)6-3-2-4-7-10/h12H,2-4,6-7H2,1H3
InChI Key:
GZWKUDWNLSHLEL-UHFFFAOYSA-N
SMILES:
CC(=O)C#CC1(O)CCCCC1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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