Cas no 110683-38-0 (4-(Heptyloxy)cinnamicacid)
4-(Heptyloxy)cinnamicacid structure
Product Name:4-(Heptyloxy)cinnamicacid
CAS No:110683-38-0
MF:C16H22O3
MW:262.344085216522
CID:62834
PubChem ID:5761915
Update Time:2025-04-18
4-(Heptyloxy)cinnamicacid Chemical and Physical Properties
Names and Identifiers
-
- 4-(Heptyloxy)cinnamicacid
- (2E)-3-[4-(heptyloxy)phenyl]prop-2-enoic acid
- 3-[4-(Heptyloxy)phenyl]-2-propenoic acid
- 3-[4-(heptyloxy)phenyl]prop-2-enoic acid
- (2E)-3-[4-(Heptyloxy)phenyl]-2-propenoic acid
- 110683-38-0
- 3-(4-(Heptyloxy)phenyl)acrylic acid
- DTXSID601254024
- (E)-3-(4-heptoxyphenyl)prop-2-enoic acid
- SCHEMBL4536706
- 4-(HEPTYLOXY)CINNAMIC ACID
- AKOS000508257
- 62718-64-3
-
- Inchi： 1S/C16H22O3/c1-2-3-4-5-6-13-19-15-10-7-14(8-11-15)9-12-16(17)18/h7-12H,2-6,13H2,1H3,(H,17,18)/b12-9+
- InChI Key： PCEUYCVFQYQWJC-FMIVXFBMSA-N
- SMILES： O(C1C=CC(/C=C/C(=O)O)=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 262.15689456g/mol
- Monoisotopic Mass: 262.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 265
- 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: 4.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.057
- Boiling Point: 414.2°C at 760 mmHg
- Flash Point: 147.9°C
- Refractive Index: 1.542
4-(Heptyloxy)cinnamicacid Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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