Cas no 62582-16-5 (Butanedioic acid, 2-(4-methoxyphenyl)-2-methyl-)
62582-16-5 structure
Product Name:Butanedioic acid, 2-(4-methoxyphenyl)-2-methyl-
CAS No:62582-16-5
MF:C12H14O5
MW:238.236564159393
CID:439324
PubChem ID:12326495
Update Time:2025-04-19
Butanedioic acid, 2-(4-methoxyphenyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid, 2-(4-methoxyphenyl)-2-methyl-
- 2-(4-methoxyphenyl)-2-methylbutanedioic acid
- DTXSID30489667
- 62582-16-5
- 2-methyl-2-(4-methoxyphenyl) butanedioic acid
-
- Inchi： 1S/C12H14O5/c1-12(11(15)16,7-10(13)14)8-3-5-9(17-2)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)(H,15,16)
- InChI Key： NLRMEPLJCAESCF-UHFFFAOYSA-N
- SMILES： OC(C(C)(CC(=O)O)C1C=CC(=CC=1)OC)=O
Computed Properties
- Exact Mass: 238.08412
- Monoisotopic Mass: 238.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
Butanedioic acid, 2-(4-methoxyphenyl)-2-methyl- Related Literature
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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