Cas no 32457-83-3 (but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxirane)
![but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxirane structure](https://ossimg.kuujia.com/scimg/32500/32457-83-3x500.png)
32457-83-3 structure
Product Name:but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxirane
CAS No:32457-83-3
MF:C21H24O7
MW:388.411067008972
CID:315952
PubChem ID:169431
Update Time:2025-04-19
but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxirane Chemical and Physical Properties
Names and Identifiers
-
- but-2-enedioic acid
- 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
- oxirane
- 32457-83-3
- but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxirane
-
- Inchi： 1S/C15H16O2.C4H4O4.C2H4O/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;5-3(6)1-2-4(7)8;1-2-3-1/h3-10,16-17H,1-2H3;1-2H,(H,5,6)(H,7,8);1-2H2
- InChI Key： ZTLXGUNBSMYRBI-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)(C)C1C=CC(=CC=1)O.O1CC1.OC(C=CC(=O)O)=O
Computed Properties
- Exact Mass: 388.152203
- Monoisotopic Mass: 388.152203
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 339
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 128
Experimental Properties
- Boiling Point: 400.8°Cat760mmHg
- Flash Point: 192.5°C
but-2-enedioic acid; 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol; oxirane Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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