Cas no 141074-65-9 (2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester)
141074-65-9 structure
Product Name:2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester
CAS No:141074-65-9
MF:C12H14O4
MW:222.237164020538
CID:1300700
PubChem ID:71343480
Update Time:2025-04-20
2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester
- propyl 3-(2,5-dihydroxyphenyl)prop-2-enoate
- DTXSID30770067
- 141074-65-9
-
- Inchi： 1S/C12H14O4/c1-2-7-16-12(15)6-3-9-8-10(13)4-5-11(9)14/h3-6,8,13-14H,2,7H2,1H3
- InChI Key： HBPAMNXZMXNICS-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=C(C=CC=1O)O)=O)CCC
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.4
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
141074-65-9 (2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, propyl ester) Related Products
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