Cas no 894415-70-4 (1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6R)- (9CI))
894415-70-4 structure
Product Name:1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6R)- (9CI)
CAS No:894415-70-4
MF:C8H12O3
MW:156.179082870483
CID:714745
Update Time:2024-01-31
1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6R)- (9CI)
- 1-Cyclohexene-1-carboxylicacid, 6-hydroxy-4-methyl-, (4R,6R)-
- Reaxys ID: 10337149
- 1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6R)-
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- Inchi： 1S/C8H12O3/c1-5-2-3-6(8(10)11)7(9)4-5/h3,5,7,9H,2,4H2,1H3,(H,10,11)/t5-,7-/m1/s1
- InChI Key： USANAFDCLKJQFV-IYSWYEEDSA-N
- SMILES： C1(C(O)=O)[C@H](O)C[C@H](C)CC=1
Computed Properties
- Exact Mass: 156.079
- Monoisotopic Mass: 156.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 196
- 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
- Topological Polar Surface Area: 57.5A^2
Experimental Properties
- Density: 1.230±0.06 g/cm3(Predicted)
- Boiling Point: 320.0±42.0 °C(Predicted)
- pka: 4.70±0.60(Predicted)
1-Cyclohexene-1-carboxylic acid, 6-hydroxy-4-methyl-, (4R,6R)- (9CI) Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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