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206763-08-8 | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, tetradecyl ester
CAS No: 206763-08-8 Catalog No: AG002IO7 MDL No:
Product Description
Catalog Number:
AG002IO7
Chemical Name:
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, tetradecyl ester
CAS Number:
206763-08-8
Molecular Formula:
C23H36O4
Molecular Weight:
376.5295
IUPAC Name:
tetradecyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-27-23(26)17-15-20-14-16-21(24)22(25)19-20/h14-17,19,24-25H,2-13,18H2,1H3
InChI Key:
JQXKUQVEHIHCEL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)C=Cc1ccc(c(c1)O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.261g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.537g/mol
Monoisotopic Mass:
376.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.9
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