Cas no 38250-12-3 (Ethanedioic acid, methyl phenyl ester)
38250-12-3 structure
Product Name:Ethanedioic acid, methyl phenyl ester
CAS No:38250-12-3
MF:C9H8O4
MW:180.157423019409
CID:1488553
PubChem ID:10856067
Update Time:2025-04-21
Ethanedioic acid, methyl phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanedioic acid, methyl phenyl ester
- 1-O-methyl 2-O-phenyl oxalate
- 38250-12-3
- DTXSID10446011
- SCHEMBL5605891
- methyl phenyl oxalate
-
- Inchi： 1S/C9H8O4/c1-12-8(10)9(11)13-7-5-3-2-4-6-7/h2-6H,1H3
- InChI Key： LJCNULUFLCOAKC-UHFFFAOYSA-N
- SMILES： O(C(C(=O)OC)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 180.04224
- Monoisotopic Mass: 180.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 194
- 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: 2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Ethanedioic acid, methyl phenyl ester Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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