Cas no 102988-48-7 (Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt (1:?))
102988-48-7 structure
Product Name:Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt (1:?)
CAS No:102988-48-7
MF:C12H15CaClO3
MW:282.776702165604
CID:195712
PubChem ID:21114902
Update Time:2025-04-19
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt (1:?) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt (1:?)
- Propanoicacid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt (9CI)
- Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt
- Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate calcium salt
- 102988-48-7
-
- Inchi： 1S/C12H15ClO3.Ca/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10;/h5-8H,4H2,1-3H3;/q;+2
- InChI Key： YPJPOGFCVOCWHM-UHFFFAOYSA-N
- SMILES： [Ca+2].ClC1C=CC(=CC=1)OC(C(=O)OCC)(C)C
Computed Properties
- Exact Mass: 282.03365
- Monoisotopic Mass: 282.0335629g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 232
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt (1:?) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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