Cas no 655232-36-3 (Bicyclo[3.2.0]heptane-2,7-diol, 4,4-dimethyl-, (1R,2R,5R,7S)-rel- (9CI))
655232-36-3 structure
Product Name:Bicyclo[3.2.0]heptane-2,7-diol, 4,4-dimethyl-, (1R,2R,5R,7S)-rel- (9CI)
CAS No:655232-36-3
MF:C9H16O2
MW:156.222143173218
CID:961986
Update Time:2024-06-12
Bicyclo[3.2.0]heptane-2,7-diol, 4,4-dimethyl-, (1R,2R,5R,7S)-rel- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Bicyclo[3.2.0]heptane-2,7-diol, 4,4-dimethyl-, (1R,2R,5R,7S)-rel- (9CI)
- Bicyclo[3.2.0]heptane-2,7-diol, 4,4-dimethyl-, (1R,2R,5R,7S)-rel-
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- Inchi: 1S/C9H16O2/c1-9(2)4-7(11)8-5(9)3-6(8)10/h5-8,10-11H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
- InChI Key: GHPFWEBLVJGFJN-ULAWRXDQSA-N
- SMILES: [C@@]12([H])[C@@]([H])(C[C@@H]1O)C(C)(C)C[C@H]2O
Computed Properties
- Exact Mass: 156.115
- Monoisotopic Mass: 156.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5A^2
Bicyclo[3.2.0]heptane-2,7-diol, 4,4-dimethyl-, (1R,2R,5R,7S)-rel- (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
655232-36-3 (Bicyclo[3.2.0]heptane-2,7-diol, 4,4-dimethyl-, (1R,2R,5R,7S)-rel- (9CI)) Related Products
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