Cas no 55044-59-2 (1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester)
55044-59-2 structure
Product Name:1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester
CAS No:55044-59-2
MF:C14H18O4
MW:250.290324687958
CID:2187227
Update Time:2023-08-05
1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-5-(1-methylethyl)-1,2-benzenedicarboxylic acid dimethyl ester
- FZBIHUWXOTWRGI-UHFFFAOYSA-N
- 1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester
- Dimethyl 4-isopropyl-5-methylphthalate #
-
- Inchi： 1S/C14H18O4/c1-8(2)10-7-12(14(16)18-5)11(6-9(10)3)13(15)17-4/h6-8H,1-5H3
- InChI Key： FZBIHUWXOTWRGI-UHFFFAOYSA-N
- SMILES： O(C)C(C1C(C(=O)OC)=CC(C)=C(C=1)C(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 311
- Topological Polar Surface Area: 52.6
1,2-Benzenedicarboxylic acid, 4-methyl-5-(1-methylethyl)-, dimethyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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