Cas no 872413-50-8 (3-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER)
872413-50-8 structure
Product Name:3-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER
CAS No:872413-50-8
MF:C10H8O4
MW:192.168123245239
CID:3292313
PubChem ID:84663716
Update Time:2025-04-21
3-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 3-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER
- Methyl 5-hydroxybenzofuran-3-carboxylate
- 872413-50-8
-
- Inchi： 1S/C10H8O4/c1-13-10(12)8-5-14-9-3-2-6(11)4-7(8)9/h2-5,11H,1H3
- InChI Key： KAAUZOONNONOGP-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OC)C2C=C(C=CC1=2)O
Computed Properties
- Exact Mass: 192.04225873Da
- Monoisotopic Mass: 192.04225873Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 228
- 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: 1.8
- Topological Polar Surface Area: 59.7?2
3-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTER Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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