Cas no 67770-59-6 ( )
structure
Product Name:
CAS No:67770-59-6
MF:C12H14O4
MW:222.237164020538
CID:966922
PubChem ID:260385
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
- 3-Methyl-1,4-benzodioxan-2-carbonsaeureethylester
- 3-Methyl-1,4-benzodioxan-carbonsaeure-(2)-aethylester
- 3-Methyl-2,3-dihydro-benzo[1,4]dioxin-2-carbonsaeure-aethylester
- 3-methyl-2,3-dihydro-benzo[1,4]dioxin-2-carboxylic acid ethyl ester
- AC1L631S
- AC1Q64O3
- AR-1I8864
- CTK2F7299
- ethyl 3-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxylate
- ETHYL 9-METHYL-7,10-DIOXABICYCLO[4.4.0]DECA-1,3,5-TRIENE-8-CARBOXYLATE
- NSC91517
- 67770-59-6
- A835954
- 3-Methyl-1,4-benzodioxan-2-carboxylic acid, ethyl ester
- 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid ethyl ester
- SCHEMBL11494621
- DTXSID40293691
- NSC-91517
-
-
- Inchi： 1S/C12H14O4/c1-3-14-12(13)11-8(2)15-9-6-4-5-7-10(9)16-11/h4-8,11H,3H2,1-2H3
- InChI Key： JTBHBFGHWBSLFU-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2OC(C(=O)OCC)C1C
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 253
- 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: 2.4
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
- LogP: 1.77800
Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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