Cas no 170433-63-3 (1,2-Benzenedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester)
170433-63-3 structure
Product Name:1,2-Benzenedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester
CAS No:170433-63-3
MF:C11H12O5
MW:224.209983825684
CID:1352621
PubChem ID:22345632
Update Time:2025-04-20
1,2-Benzenedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester
- dimethyl 4-(hydroxymethyl)benzene-1,2-dioate
- SCHEMBL6477497
- SFMGRZPVYXQKIZ-UHFFFAOYSA-N
- DA-34803
- DTXSID501334542
- 170433-63-3
- dimethyl 4-hydroxymethylphthalate
-
- Inchi： 1S/C11H12O5/c1-15-10(13)8-4-3-7(6-12)5-9(8)11(14)16-2/h3-5,12H,6H2,1-2H3
- InChI Key： SFMGRZPVYXQKIZ-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(CO)C=CC=1C(=O)OC)=O
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 224.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 263
- 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: 0.7
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
1,2-Benzenedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
170433-63-3 (1,2-Benzenedicarboxylic acid, 4-(hydroxymethyl)-, dimethyl ester) Related Products
- 1679-64-7(Mono-Methyl terephthalate)
- 87-41-2(Phthalide)
- 87-24-1(Ethyl 2-methylbenzoate)
- 89-71-4(Methyl o-toluate)
- 99-75-2(Methyl p-Toluate)
- 131-11-3(Dimethyl phthalate)
- 1459-93-4(Dimethyl isophthalate)
- 1754-55-8(Ethyl 2,4,6-trimethylbenzoate)
- 117-82-8(Bis(2-methoxyethyl) phthalate)
- 99-36-5(Methyl 3-methylbenzoate)
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