Cas no 1711-40-6 (p-tert-butylperbenzoic acid)
p-tert-butylperbenzoic acid structure
Product Name:p-tert-butylperbenzoic acid
CAS No:1711-40-6
MF:C11H14O3
MW:194.227063655853
CID:1354212
PubChem ID:74379
Update Time:2025-04-20
p-tert-butylperbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- p-tert-butylperbenzoic acid
- 4-tert-butylbenzenecarboperoxoic acid
- Butylperoxybenzoate, P-Tert-
- 1711-40-6
- Benzenecarboperoxoic acid, 4-(1,1-dimethylethyl)-
- SCHEMBL669305
- 4-tert-butylperoxybenzoic acid
- P-TERT-BUTYLPEROXYBENZOIC ACID
- TZAJCDOWOPBMKD-UHFFFAOYSA-N
- Peroxybenzoic acid, p-tert-butyl-
- Q27261324
- 55PKU7YJIJ
- UNII-55PKU7YJIJ
- EINECS 216-981-5
- DTXSID30169013
- NS00025616
- p-t-butylperbenzoic acid
-
- Inchi： 1S/C11H14O3/c1-11(2,3)9-6-4-8(5-7-9)10(12)14-13/h4-7,13H,1-3H3
- InChI Key： TZAJCDOWOPBMKD-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)C(C)(C)C)=O)O
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 197
- 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: 3.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
p-tert-butylperbenzoic acid Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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