Cas no 615249-15-5 (Bicyclo[2.2.1]heptane-2,5-diol, monoacetate, (1S,2S,4S,5R)- (9CI))
![Bicyclo[2.2.1]heptane-2,5-diol, monoacetate, (1S,2S,4S,5R)- (9CI) structure](https://ossimg.kuujia.com/scimg/615500/615249-15-5x500.png)
615249-15-5 structure
Product Name:Bicyclo[2.2.1]heptane-2,5-diol, monoacetate, (1S,2S,4S,5R)- (9CI)
CAS No:615249-15-5
MF:C9H16O4
MW:188.220943450928
CID:1023327
PubChem ID:57358320
Update Time:2025-04-20
Bicyclo[2.2.1]heptane-2,5-diol, monoacetate, (1S,2S,4S,5R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]heptane-2,5-diol, monoacetate, (1S,2S,4S,5R)- (9CI)
- acetic acid,(1S,2S,4S,5R)-bicyclo[2.2.1]heptane-2,5-diol
- DTXSID30724080
- Acetic acid--(1S,2R,4S,5S)-bicyclo[2.2.1]heptane-2,5-diol (1/1)
- 615249-15-5
-
- Inchi： 1S/C7H12O2.C2H4O2/c8-6-2-4-1-5(6)3-7(4)9;1-2(3)4/h4-9H,1-3H2;1H3,(H,3,4)/t4-,5-,6-,7+;/m0./s1
- InChI Key： LAJKJZXCMPYHOP-VPHMISFWSA-N
- SMILES： O[C@@H]1C[C@H]2[C@H](C[C@@H]1C2)O.OC(C)=O
Computed Properties
- Exact Mass: 188.10485899g/mol
- Monoisotopic Mass: 188.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 141
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8?2
Bicyclo[2.2.1]heptane-2,5-diol, monoacetate, (1S,2S,4S,5R)- (9CI) Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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