Cas no 902137-98-8 ( )
structure
Product Name:
CAS No:902137-98-8
MF:C10H9BrO
MW:225.081862211227
CID:876264
PubChem ID:17750107
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 3-(4-Bromo-2-methyl-phenyl)-prop-2- yn-1-ol
- 3-(4-BROMO-2-METHYL-PHENYL)-PROP-2-YN-1-OL
- 3-(4-bromo-2-methylphenyl)prop-2-yn-1-ol
- DTXSID40590258
- 902137-98-8
-
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- Inchi： 1S/C10H9BrO/c1-8-7-10(11)5-4-9(8)3-2-6-12/h4-5,7,12H,6H2,1H3
- InChI Key： WXIANMVWUXRAMN-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C#CCO)=C(C)C=1
Computed Properties
- Exact Mass: 223.98368g/mol
- Monoisotopic Mass: 223.98368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 20.2?2
Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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