Cas no 84524-95-8 (4-HEXENOIC ACID, 3-(1-CHLORO-1-METHYLETHYL)-5-METHYL-, ETHYL ESTER)
84524-95-8 structure
Product Name:4-HEXENOIC ACID, 3-(1-CHLORO-1-METHYLETHYL)-5-METHYL-, ETHYL ESTER
CAS No:84524-95-8
MF:C12H21ClO2
MW:232.746943235397
CID:3308174
PubChem ID:12822742
Update Time:2025-04-21
4-HEXENOIC ACID, 3-(1-CHLORO-1-METHYLETHYL)-5-METHYL-, ETHYL ESTER Chemical and Physical Properties
Names and Identifiers
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- 4-HEXENOIC ACID, 3-(1-CHLORO-1-METHYLETHYL)-5-METHYL-, ETHYL ESTER
- 84524-95-8
- Ethyl 3-(1-chloro-1-methylethyl)-5-methyl-4-hexenoate
- DB-157512
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- Inchi： 1S/C12H21ClO2/c1-6-15-11(14)8-10(7-9(2)3)12(4,5)13/h7,10H,6,8H2,1-5H3
- InChI Key： YHCKDYPJEMYSKI-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)CC(C(Cl)(C)C)/C=C(/C)\C
Computed Properties
- Exact Mass: 232.1230076Da
- Monoisotopic Mass: 232.1230076Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 26.3?2
4-HEXENOIC ACID, 3-(1-CHLORO-1-METHYLETHYL)-5-METHYL-, ETHYL ESTER Related Literature
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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