Cas no 139592-84-0 (1H-Indene-2-methanol, 2,3-dihydro-1-methyl-, cis-)
139592-84-0 structure
Product Name:1H-Indene-2-methanol, 2,3-dihydro-1-methyl-, cis-
CAS No:139592-84-0
MF:C11H14O
MW:162.228263378143
CID:1275536
Update Time:2024-08-03
1H-Indene-2-methanol, 2,3-dihydro-1-methyl-, cis- Chemical and Physical Properties
Names and Identifiers
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- 1H-Indene-2-methanol, 2,3-dihydro-1-methyl-, cis-
- 1H-Indene-2-methanol, 2,3-dihydro-1-methyl-, cis- (9CI)
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- Inchi： 1S/C11H14O/c1-8-10(7-12)6-9-4-2-3-5-11(8)9/h2-5,8,10,12H,6-7H2,1H3/t8-,10+/m0/s1
- InChI Key： NZUYYNBHUPGKRF-WCBMZHEXSA-N
- SMILES： [C@@H]1(C)C2=C(C=CC=C2)C[C@@H]1CO
Computed Properties
- Exact Mass: 162.10452
- Monoisotopic Mass: 162.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Density: 1.032±0.06 g/cm3(Predicted)
- Boiling Point: 269.1±9.0 °C(Predicted)
- PSA: 20.23
- pka: 15.01±0.10(Predicted)
1H-Indene-2-methanol, 2,3-dihydro-1-methyl-, cis- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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