Cas no 61712-26-3 (2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (Z)-)
61712-26-3 structure
Product Name:2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (Z)-
CAS No:61712-26-3
MF:C12H14O2
MW:190.238363742828
CID:468958
PubChem ID:45117205
Update Time:2025-04-19
2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (Z)-
- 2-Butenoicacid,2-methyl-3-(4-methylphenyl)-,(Z)-(9CI)
- (Z)-2-Methyl-3-(p-tolyl)but-2-enoic acid
- 61712-26-3
-
- Inchi： 1S/C12H14O2/c1-8-4-6-11(7-5-8)9(2)10(3)12(13)14/h4-7H,1-3H3,(H,13,14)/b10-9-
- InChI Key： XAUUADVNCIAJNT-KTKRTIGZSA-N
- SMILES： OC(/C(/C)=C(/C)\C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 190.09942
- Monoisotopic Mass: 190.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (Z)- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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