Cas no 10482-65-2 (Pentanoic acid,3-phenyl-2-propen-1-yl ester)
10482-65-2 structure
Product Name:Pentanoic acid,3-phenyl-2-propen-1-yl ester
CAS No:10482-65-2
MF:C14H18O2
MW:218.291524410248
CID:168735
PubChem ID:5367959
Update Time:2025-04-19
Pentanoic acid,3-phenyl-2-propen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,3-phenyl-2-propen-1-yl ester
- CINNAMYL VALERATE
- 4-Methylbutyric acid 3-phenyl-2-propenyl ester
- Pentanoic acid 3-phenyl-2-propenyl ester
- 3-Phenyl-2-propenyl pentanoate
- Cinnamyl N-valerate
- EINECS 233-987-3
- 10482-65-2
- [(E)-3-phenylprop-2-enyl] pentanoate
- Valeric acid, cinnamyl ester
- cinnamylvalerate
- Pentanoic acid, 3-phenyl-2-propenyl ester
- FLSKWIBFXUNBAW-JXMROGBWSA-N
- SCHEMBL1305900
- NS00054388
- cinnamyl pentanoate
- DTXSID60864281
- 3-phenylprop-2-en-1-yl pentanoate
-
- Inchi： 1S/C14H18O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-10H,2-3,11-12H2,1H3/b10-7+
- InChI Key： FLSKWIBFXUNBAW-JXMROGBWSA-N
- SMILES： O(C/C=C/C1C=CC=CC=1)C(CCCC)=O
Computed Properties
- Exact Mass: 218.13100
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 215
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.43320
Pentanoic acid,3-phenyl-2-propen-1-yl ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
10482-65-2 (Pentanoic acid,3-phenyl-2-propen-1-yl ester) Related Products
- 103-61-7(Cinnamyl butyrate)
- 78761-38-3(2-Propen-1-ol,3-phenyl-, 1-propanoate, (2E)-)
- 140-27-2(Butanoic acid, 3-methyl-, 3-phenyl-2-propen-1-yl ester)
- 57582-46-4(Cinnamyl 3-oxobutanoate)
- 103-56-0(2-Propen-1-ol, 3-phenyl-, propanoate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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