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Home > Other Heterocycles > 113580-99-7
113580-99-7 | 3-Oxabicyclo[3.1.0]hexan-2-one, 4-(1-hydroxyethyl)-6,6-dimethyl-
CAS No: 113580-99-7 Catalog No: AG00091Y MDL No:
Product Description
Catalog Number:
AG00091Y
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 4-(1-hydroxyethyl)-6,6-dimethyl-
CAS Number:
113580-99-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
4-(1-hydroxyethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C9H14O3/c1-4(10)7-5-6(8(11)12-7)9(5,2)3/h4-7,10H,1-3H3
InChI Key:
CCLQBBRFGBCARS-UHFFFAOYSA-N
SMILES:
CC(C1OC(=O)C2C1C2(C)C)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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