Cas no 181522-18-9 (1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-)
181522-18-9 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-
CAS No:181522-18-9
MF:C9H8O5
MW:196.156823158264
CID:1372868
PubChem ID:10888837
Update Time:2025-04-20
1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-
- 5-(hydroxymethyl)isophthalic acid
- CYZQJDADMYLLNK-UHFFFAOYSA-N
- CHEMBL447149
- SCHEMBL1551997
- DB-332713
- 181522-18-9
- 5-Hydroxymethylisophthalic acid
-
- Inchi： 1S/C9H8O5/c10-4-5-1-6(8(11)12)3-7(2-5)9(13)14/h1-3,10H,4H2,(H,11,12)(H,13,14)
- InChI Key： CYZQJDADMYLLNK-UHFFFAOYSA-N
- SMILES： OCC1C=C(C(=O)O)C=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 196.03714
- Monoisotopic Mass: 196.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 0.1
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83
1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
181522-18-9 (1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-) Related Products
- 499-06-9(3,5-Dimethylbenzoic acid)
- 121-91-5(Isophthalic acid)
- 65-85-0(Benzoic acid)
- 99-94-5(4-Methylbenzoic acid)
- 499-49-0(5-Methylisophthalic acid)
- 554-95-0(Benzene-1,3,5-tricarboxylic acid)
- 619-04-5(3,4-Dimethylbenzoic acid)
- 93-09-4(naphthalene-2-carboxylic acid)
- 582-25-2(Potassium benzoate)
- 99-04-7(3-methylbenzoic acid)
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