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205645-09-6 | Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,2R,5S)-
CAS No: 205645-09-6 Catalog No: AG002A8A MDL No:
Product Description
Catalog Number:
AG002A8A
Chemical Name:
Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,2R,5S)-
CAS Number:
205645-09-6
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
acetic acid;[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
InChI:
InChI=1S/C10H18O.C2H4O2/c1-10(2)8-4-3-7(6-11)9(10)5-8;1-2(3)4/h7-9,11H,3-6H2,1-2H3;1H3,(H,3,4)/t7-,8-,9-;/m0./s1
InChI Key:
NCRYWCZKRIRMMH-YWUTZLAHSA-N
SMILES:
CC(=O)OC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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