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140223-93-4 | Bicyclo[3.2.1]oct-2-en-2-ol, 4,4-dimethyl-, acetate, (1R)- (9CI)
CAS No: 140223-93-4 Catalog No: AG001C6B MDL No:
Product Description
Catalog Number:
AG001C6B
Chemical Name:
Bicyclo[3.2.1]oct-2-en-2-ol, 4,4-dimethyl-, acetate, (1R)- (9CI)
CAS Number:
140223-93-4
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
acetic acid;4,4-dimethylbicyclo[3.2.1]oct-2-en-2-ol
InChI:
InChI=1S/C10H16O.C2H4O2/c1-10(2)6-9(11)7-3-4-8(10)5-7;1-2(3)4/h6-8,11H,3-5H2,1-2H3;1H3,(H,3,4)
InChI Key:
OHAVTCFWNWAZNE-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CC(C)(C)C2C[C@H]1CC2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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