Cas no 33602-00-5 (2-Propenoic acid,3-[4-(hexyloxy)phenyl]-)
![2-Propenoic acid,3-[4-(hexyloxy)phenyl]- structure](https://ossimg.kuujia.com/scimg/34000/33602-00-5x500.png)
33602-00-5 structure
Product Name:2-Propenoic acid,3-[4-(hexyloxy)phenyl]-
CAS No:33602-00-5
MF:C15H20O3
MW:248.317504882813
CID:316746
PubChem ID:5761917
Update Time:2025-04-19
2-Propenoic acid,3-[4-(hexyloxy)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-[4-(hexyloxy)phenyl]-
- (E)-3-(4-hexoxyphenyl)prop-2-enoic acid
- (2E)-3-[4-(hexyloxy)phenyl]prop-2-enoic acid
- p-(Hexyloxy)cinnamic acid
- 33602-00-5
- SCHEMBL7044767
- EINECS 251-587-7
- NS00058991
- 3-(4-(Hexyloxy)phenyl)acrylic acid
- SCHEMBL7087163
- AKOS000508260
- CHEMBL98914
-
- Inchi： 1S/C15H20O3/c1-2-3-4-5-12-18-14-9-6-13(7-10-14)8-11-15(16)17/h6-11H,2-5,12H2,1H3,(H,16,17)/b11-8+
- InChI Key： YUPOGZHOMDSGCD-DHZHZOJOSA-N
- SMILES： O(C1C=CC(/C=C/C(=O)O)=CC=1)CCCCCC
Computed Properties
- Exact Mass: 248.1413
- Monoisotopic Mass: 248.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 253
- 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: 4.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
2-Propenoic acid,3-[4-(hexyloxy)phenyl]- Related Literature
-
Jawad Naciri,Devanand K. Shenoy,Kirsten Grüeneberg,Ranganathan Shashidhar J. Mater. Chem. 2004 14 3468
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