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Home > Other Heterocycles > 20618-41-1
20618-41-1 | Bicyclo[2.2.1]heptan-2-one, 3-(hydroxymethyl)-1,7,7-trimethyl-
CAS No: 20618-41-1 Catalog No: AG002AKA MDL No:
Product Description
Catalog Number:
AG002AKA
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3-(hydroxymethyl)-1,7,7-trimethyl-
CAS Number:
20618-41-1
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
3-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(13)7(8)6-12/h7-8,12H,4-6H2,1-3H3
InChI Key:
YWQRRMNZXWQQJU-UHFFFAOYSA-N
SMILES:
OCC1C(=O)C2(C(C1CC2)(C)C)C
NSC Number:
115677
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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