200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 866082-52-2
866082-52-2 | 4-Pentenoic acid, 5-[4-(acetyloxy)-3,5-dimethylphenyl]-, ethyl ester
CAS No: 866082-52-2 Catalog No: AG004P0P MDL No:
Product Description
Catalog Number:
AG004P0P
Chemical Name:
4-Pentenoic acid, 5-[4-(acetyloxy)-3,5-dimethylphenyl]-, ethyl ester
CAS Number:
866082-52-2
Molecular Formula:
C17H22O4
Molecular Weight:
290.3542
IUPAC Name:
ethyl 5-(4-acetyloxy-3,5-dimethylphenyl)pent-4-enoate
InChI:
InChI=1S/C17H22O4/c1-5-20-16(19)9-7-6-8-15-10-12(2)17(13(3)11-15)21-14(4)18/h6,8,10-11H,5,7,9H2,1-4H3
InChI Key:
JXYZCTCWCUCEPU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC=Cc1cc(C)c(c(c1)C)OC(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.359g/mol
Monoisotopic Mass:
290.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.