Cas no 88180-41-0 (3-Benzofuranmethanol, benzoate)
88180-41-0 structure
Product Name:3-Benzofuranmethanol, benzoate
CAS No:88180-41-0
MF:C16H12O3
MW:252.264684677124
CID:641960
PubChem ID:13167179
Update Time:2025-04-19
3-Benzofuranmethanol, benzoate Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzofuranmethanol, benzoate
- 1-benzofuran-2-ylmethanol,benzoic acid
- Benzofuran-3-ylmethyl benzoate
- 88180-41-0
-
- Inchi： 1S/C16H12O3/c17-16(12-6-2-1-3-7-12)19-11-13-10-18-15-9-5-4-8-14(13)15/h1-10H,11H2
- InChI Key： HBILZSXHCIEAIM-UHFFFAOYSA-N
- SMILES： O1C=C(COC(C2C=CC=CC=2)=O)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 270.08900
- Monoisotopic Mass: 252.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 309
- 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: 3.7
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 70.67000
- LogP: 3.30990
3-Benzofuranmethanol, benzoate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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