Cas no 473546-44-0 (Acetic acid;2-butylcyclohexan-1-ol)
473546-44-0 structure
Product Name:Acetic acid;2-butylcyclohexan-1-ol
CAS No:473546-44-0
MF:C12H24O3
MW:216.317164421082
CID:2828424
PubChem ID:71362938
Update Time:2025-04-21
Acetic acid;2-butylcyclohexan-1-ol Chemical and Physical Properties
Names and Identifiers
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- DTXSID80786537
- 473546-44-0
- Acetic acid--2-butylcyclohexan-1-ol (1/1)
- Acetic acid;2-butylcyclohexan-1-ol
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- Inchi： 1S/C10H20O.C2H4O2/c1-2-3-6-9-7-4-5-8-10(9)11;1-2(3)4/h9-11H,2-8H2,1H3;1H3,(H,3,4)
- InChI Key： BEXYGXOISIHKQB-UHFFFAOYSA-N
- SMILES： OC1CCCCC1CCCC.OC(C)=O
Computed Properties
- Exact Mass: 216.17254462Da
- Monoisotopic Mass: 216.17254462Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 132
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5?2
Acetic acid;2-butylcyclohexan-1-ol Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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