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Home > Other Heterocycles > 2055839-77-3
2055839-77-3 | Ethanone, 1-(3-hydroxybicyclo[1.1.1]pent-1-yl)-
CAS No: 2055839-77-3 Catalog No: AG002A68 MDL No:
Product Description
Catalog Number:
AG002A68
Chemical Name:
Ethanone, 1-(3-hydroxybicyclo[1.1.1]pent-1-yl)-
CAS Number:
2055839-77-3
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
1-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)ethanone
InChI:
InChI=1S/C7H10O2/c1-5(8)6-2-7(9,3-6)4-6/h9H,2-4H2,1H3
InChI Key:
QUIIAKFWEGCIQS-UHFFFAOYSA-N
SMILES:
CC(=O)C12CC(C1)(C2)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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