Cas no 72274-02-3 (4-methylbenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate)
72274-02-3 structure
Product Name:4-methylbenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
CAS No:72274-02-3
MF:C18H24O2
MW:272.381965637207
CID:1758312
PubChem ID:155866
Update Time:2025-04-21
4-methylbenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-methylbenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (4-methylphenyl)methyl ester
- (4-methylphenyl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- DTXSID30993032
- (4-METHYLPHENYL)METHYL 2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE
- 72274-02-3
-
- Inchi： 1S/C18H24O2/c1-12(2)10-15-16(18(15,4)5)17(19)20-11-14-8-6-13(3)7-9-14/h6-10,15-16H,11H2,1-5H3
- InChI Key： NEYJVUNJNOKFTK-UHFFFAOYSA-N
- SMILES： O(CC1C=CC(C)=CC=1)C(C1C(/C=C(\C)/C)C1(C)C)=O
Computed Properties
- Exact Mass: 272.17772
- Monoisotopic Mass: 272.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
4-methylbenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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