Cas no 910635-48-2 (Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl-)
910635-48-2 structure
Product Name:Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl-
CAS No:910635-48-2
MF:C12H14O3S
MW:238.302762508392
CID:1958732
PubChem ID:57437421
Update Time:2025-04-21
Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl-
- 3-formyl-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid
- SCHEMBL1863258
- 910635-48-2
- DB-339369
- DOSOMZRCQCVMMO-UHFFFAOYSA-N
-
- Inchi: 1S/C12H14O3S/c1-12(2)4-3-7-8(5-12)9(6-13)16-10(7)11(14)15/h6H,3-5H2,1-2H3,(H,14,15)
- InChI Key: DOSOMZRCQCVMMO-UHFFFAOYSA-N
- SMILES: S1C(C(=O)O)=C2C(=C1C=O)CC(C)(C)CC2
Computed Properties
- Exact Mass: 238.06636548Da
- Monoisotopic Mass: 238.06636548Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 313
- 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: 3.3
- Topological Polar Surface Area: 82.6?2
Benzo[c]thiophene-1-carboxylic acid,3-formyl-4,5,6,7-tetrahydro-5,5-dimethyl- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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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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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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