Cas no 3487-90-9 (2-Propenoic acid, 3-(2-hydroxyphenyl)-, butyl ester, (2E)-)
3487-90-9 structure
Product Name:2-Propenoic acid, 3-(2-hydroxyphenyl)-, butyl ester, (2E)-
CAS No:3487-90-9
MF:C13H16O3
MW:220.264344215393
CID:1466673
PubChem ID:53827971
Update Time:2025-04-20
2-Propenoic acid, 3-(2-hydroxyphenyl)-, butyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(2-hydroxyphenyl)-, butyl ester, (2E)-
- butyl 3-(2-hydroxyphenyl)prop-2-enoate
- 3487-90-9
- DTXSID50706969
-
- Inchi： 1S/C13H16O3/c1-2-3-10-16-13(15)9-8-11-6-4-5-7-12(11)14/h4-9,14H,2-3,10H2,1H3
- InChI Key： GAKZNFCYARURJX-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC=CC=1O)=O)CCCC
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 235
- 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: 3.1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Propenoic acid, 3-(2-hydroxyphenyl)-, butyl ester, (2E)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
3487-90-9 (2-Propenoic acid, 3-(2-hydroxyphenyl)-, butyl ester, (2E)-) Related Products
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