Cas no 108268-27-5 (1,2-Cycloheptanediol,(1S,2S)-)
1,2-Cycloheptanediol,(1S,2S)- structure
Product Name:1,2-Cycloheptanediol,(1S,2S)-
CAS No:108268-27-5
MF:C7H14O2
MW:130.184862613678
CID:137154
PubChem ID:11051682
Update Time:2025-04-19
1,2-Cycloheptanediol,(1S,2S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cycloheptanediol,(1S,2S)-
- (S,S)-(+)-1,2-CYCLOHEPTANEDIOL
- NS00052477
- 108268-27-5
- (S,s)-1,2-cycloheptanediol
- SCHEMBL765400
- 4-(Boc-amino)butylbromide
- (1S,2S)-CYCLOHEPTANE-1,2-DIOL
- D88147
-
- Inchi： 1S/C7H14O2/c8-6-4-2-1-3-5-7(6)9/h6-9H,1-5H2/t6-,7-/m0/s1
- InChI Key： DCYPPXGEIQTVPI-BQBZGAKWSA-N
- SMILES： O[C@H]1CCCCC[C@@H]1O
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 73
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.102
- Boiling Point: 248.899 °C at 760 mmHg
- Flash Point: 118.804 °C
- PSA: 40.46
- LogP: 0.67230
1,2-Cycloheptanediol,(1S,2S)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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