Cas no 102636-02-2 (6-(hydroxymethyl)benzothiophene-2-carboxylic acid)
102636-02-2 structure
Product Name:6-(hydroxymethyl)benzothiophene-2-carboxylic acid
CAS No:102636-02-2
MF:C10H8O3S
MW:208.233721733093
CID:1134314
PubChem ID:13540122
Update Time:2025-04-20
6-(hydroxymethyl)benzothiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-(hydroxymethyl)benzothiophene-2-carboxylic acid
- 6-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid
- LogP
- DB-428263
- 102636-02-2
- 6-(Hydroxymethyl)benzo[b]thiophene-2-carboxylic acid
- FJJMWKUDSQFEGL-UHFFFAOYSA-N
- SCHEMBL191611
- 6-Hydroxymethyl-benzo[b]thiophene-2-carboxylic acid
-
- Inchi： 1S/C10H8O3S/c11-5-6-1-2-7-4-9(10(12)13)14-8(7)3-6/h1-4,11H,5H2,(H,12,13)
- InChI Key： FJJMWKUDSQFEGL-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC2C=CC(CO)=CC1=2
Computed Properties
- Exact Mass: 208.01944
- Monoisotopic Mass: 208.01941529g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 1.9
- Topological Polar Surface Area: 85.8?2
Experimental Properties
- Density: 1.494
- Boiling Point: 470.8°C at 760 mmHg
- Flash Point: 238.6°C
- Refractive Index: 1.733
- PSA: 57.53
6-(hydroxymethyl)benzothiophene-2-carboxylic acid Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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