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Home > Other Heterocycles > 33644-17-6
33644-17-6 | Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, (1S,5R,6S)-
CAS No: 33644-17-6 Catalog No: AG007CUR MDL No:
Product Description
Catalog Number:
AG007CUR
Chemical Name:
Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, (1S,5R,6S)-
CAS Number:
33644-17-6
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
(1S,5R,6S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
InChI:
InChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1
InChI Key:
IRZWAJHUWGZMMT-YIZRAAEISA-N
SMILES:
CC1=CC[C@H]2[C@@H]([C@@H]1C2(C)C)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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