Cas no 18600-02-7 (Benzopyran-3-carboxylic acid, (4H)-1-5,6,7,8-tetrahydro-2,4,4,7-tetramethyl-, ethyl ester)
18600-02-7 structure
Product Name:Benzopyran-3-carboxylic acid, (4H)-1-5,6,7,8-tetrahydro-2,4,4,7-tetramethyl-, ethyl ester
CAS No:18600-02-7
MF:C16H24O3
MW:264.359965324402
CID:865299
Update Time:2023-08-03
Benzopyran-3-carboxylic acid, (4H)-1-5,6,7,8-tetrahydro-2,4,4,7-tetramethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- benzopyran-3-carboxylic acid, (4h)-1-5,6,7,8-tetrahydro-2,4,4,7-tetramethyl-, ethyl ester
- ethyl 2,4,4,7-tetramethyl-5,6,7,8-tetrahydrochromene-3-carboxylate
- Ethyl 2,4,4,7-tetramethyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylate
- Benzopyran-3-carboxylic acid, (4H)-1-5,6,7,8-tetrahydro-2,4,4,7-tetramethyl-, ethyl ester
-
- Inchi： 1S/C16H24O3/c1-6-18-15(17)14-11(3)19-13-9-10(2)7-8-12(13)16(14,4)5/h10H,6-9H2,1-5H3
- InChI Key： JLPXOZKGWGCIGQ-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)OCC)C(C)(C)C2=C1CC(C)CC2
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 455
- Topological Polar Surface Area: 35.5
Benzopyran-3-carboxylic acid, (4H)-1-5,6,7,8-tetrahydro-2,4,4,7-tetramethyl-, ethyl ester Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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