Cas no 56881-08-4 (7-Hydroxy-3-(1,1-dimethylprop-2-enyl)coumarin)
56881-08-4 structure
Product Name:7-Hydroxy-3-(1,1-dimethylprop-2-enyl)coumarin
CAS No:56881-08-4
MF:C14H14O3
MW:230.259164333344
CID:946076
PubChem ID:5363192
Update Time:2025-04-19
7-Hydroxy-3-(1,1-dimethylprop-2-enyl)coumarin Chemical and Physical Properties
Names and Identifiers
-
- 7-Hydroxy-3-(1,1-dimethylprop-2-enyl)coumarin
- 7-hydroxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
- CHEBI:183588
- BDBM50404370
- 7-hydroxy-3-(1,1-dimethylprop-2-enyl) coumarin
- CHEMBL71850
- 7-hydroxy-3-(2-methylbut-3-en-2-yl)-2H-chromen-2-one
- DTXSID20418603
- 3-(1,1-Dimethyl-2-propenyl)-7-hydroxy-2H-chromen-2-one #
- MZBAWTYBJIIUQC-UHFFFAOYSA-N
- 56881-08-4
- DB-264108
-
- Inchi： 1S/C14H14O3/c1-4-14(2,3)11-7-9-5-6-10(15)8-12(9)17-13(11)16/h4-8,15H,1H2,2-3H3
- InChI Key： MZBAWTYBJIIUQC-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=CC=2C=C(C1=O)C(C=C)(C)C)O
Computed Properties
- Exact Mass: 230.094294304g/mol
- Monoisotopic Mass: 230.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 368
- 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: 3.5
- Topological Polar Surface Area: 46.5?2
7-Hydroxy-3-(1,1-dimethylprop-2-enyl)coumarin Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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