Cas no 6969-35-3 (2-(furan-2-ylmethyl)-2-methylpropanedioic Acid)
6969-35-3 structure
Product Name:2-(furan-2-ylmethyl)-2-methylpropanedioic Acid
CAS No:6969-35-3
MF:C9H10O5
MW:198.172703266144
CID:1738934
PubChem ID:249726
Update Time:2025-04-21
2-(furan-2-ylmethyl)-2-methylpropanedioic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(furan-2-ylmethyl)-2-methylpropanedioic Acid
- (furan-2-ylmethyl)(methyl)propanedioic acid
- NSC68345
- AC1L6P2R
- AC1Q5RN4
- CTK5D0947
- KST-1A8738
- AR-1A7681
- NSC-68345
- (furan-2-ylmethyl)(methyl)propanedioic acid; NSC68345; AC1L6P2R; AC1Q5RN4; CTK5D0947; KST-1A8738; AR-1A7681; NSC-68345;
- 6969-35-3
- DTXSID70290375
-
- Inchi： 1S/C9H10O5/c1-9(7(10)11,8(12)13)5-6-3-2-4-14-6/h2-4H,5H2,1H3,(H,10,11)(H,12,13)
- InChI Key： GIKWTRCGCGAQAW-UHFFFAOYSA-N
- SMILES： O1C=CC=C1CC(C(=O)O)(C(=O)O)C
Computed Properties
- Exact Mass: 198.0528
- Monoisotopic Mass: 198.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 234
- 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: 0.9
- Topological Polar Surface Area: 87.7?2
Experimental Properties
- Density: 1.377
- Boiling Point: 359.5°C at 760 mmHg
- Flash Point: 171.2°C
- Refractive Index: 1.539
- PSA: 87.74
- LogP: 0.99760
2-(furan-2-ylmethyl)-2-methylpropanedioic Acid Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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