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83878-04-0 | Bicyclo[3.2.1]octane-8-aceticacid, 8-hydroxy-1,5-dimethyl-, ethyl ester
CAS No: 83878-04-0 Catalog No: AG004RUC MDL No:
Product Description
Catalog Number:
AG004RUC
Chemical Name:
Bicyclo[3.2.1]octane-8-aceticacid, 8-hydroxy-1,5-dimethyl-, ethyl ester
CAS Number:
83878-04-0
Molecular Formula:
C14H24O3
Molecular Weight:
240.3386
IUPAC Name:
ethyl 2-(8-hydroxy-1,5-dimethyl-8-bicyclo[3.2.1]octanyl)acetate
InChI:
InChI=1S/C14H24O3/c1-4-17-11(15)10-14(16)12(2)6-5-7-13(14,3)9-8-12/h16H,4-10H2,1-3H3
InChI Key:
ADGFHVQVFSZWGS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC1(O)C2(C)CCCC1(C)CC2
EC Number:
281-171-0
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.343g/mol
Monoisotopic Mass:
240.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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