Cas no 344246-93-1 (1,2-Cyclopropanedicarboxylic acid, 1-(4-methoxyphenyl)-)
344246-93-1 structure
Product Name:1,2-Cyclopropanedicarboxylic acid, 1-(4-methoxyphenyl)-
CAS No:344246-93-1
MF:C12H12O5
MW:236.220684051514
CID:1464172
PubChem ID:12719788
Update Time:2025-04-20
1,2-Cyclopropanedicarboxylic acid, 1-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclopropanedicarboxylic acid, 1-(4-methoxyphenyl)-
- SCHEMBL378469
- DB-215636
- 1-(4-methoxyphenyl)-1,2-cyclopropanedicarboxylic acid
- 344246-93-1
- PDPNDIOORXPPHH-UHFFFAOYSA-N
-
- Inchi： 1S/C12H12O5/c1-17-8-4-2-7(3-5-8)12(11(15)16)6-9(12)10(13)14/h2-5,9H,6H2,1H3,(H,13,14)(H,15,16)
- InChI Key： PDPNDIOORXPPHH-UHFFFAOYSA-N
- SMILES： OC(C1(C2C=CC(=CC=2)OC)CC1C(=O)O)=O
Computed Properties
- Exact Mass: 236.06846
- Monoisotopic Mass: 236.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
1,2-Cyclopropanedicarboxylic acid, 1-(4-methoxyphenyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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