Cas no 100842-27-1 (Benzoic acid,4-(1,1-dimethylethyl)-, strontium salt (2:1))
100842-27-1 structure
Product Name:Benzoic acid,4-(1,1-dimethylethyl)-, strontium salt (2:1)
CAS No:100842-27-1
MF:C22H26O4Sr
MW:442.059449672699
CID:161347
PubChem ID:44148988
Update Time:2025-04-19
Benzoic acid,4-(1,1-dimethylethyl)-, strontium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(1,1-dimethylethyl)-, strontium salt (2:1)
- strontium,4-tert-butylbenzoate
- benzoate, 4-(1,1-dimethylethyl)-, strontium salt (1:1)
- LogP
- Benzoic acid, 4-(1,1-dimethylethyl)-, strontium salt (2:1)
- 100842-27-1
- DTXSID30891105
- Strontium p-tert-butylbenzoate
- Benzoic acid, 4-(1,1-dimethylethyl)-, strontium salt
-
- Inchi： 1S/2C11H14O2.Sr/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
- InChI Key： IUDVRELDCNXVLN-UHFFFAOYSA-L
- SMILES： [Sr+2].[O-]C(C1C=CC(=CC=1)C(C)(C)C)=O.[O-]C(C1C=CC(=CC=1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 261.00499
- Monoisotopic Mass: 264.997169
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 177
- 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: 40.1
Experimental Properties
- PSA: 40.13
- LogP: 2.69520
Benzoic acid,4-(1,1-dimethylethyl)-, strontium salt (2:1) Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
100842-27-1 (Benzoic acid,4-(1,1-dimethylethyl)-, strontium salt (2:1)) Related Products
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