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16432-81-8 | 2-Propenoic acid, 2-(4-benzoyl-3-hydroxyphenoxy)ethyl ester
CAS No: 16432-81-8 Catalog No: AG001UT7 MDL No:MFCD00081133
Product Description
Catalog Number:
AG001UT7
Chemical Name:
2-Propenoic acid, 2-(4-benzoyl-3-hydroxyphenoxy)ethyl ester
CAS Number:
16432-81-8
Molecular Formula:
C18H16O5
Molecular Weight:
312.3166
MDL Number:
MFCD00081133
IUPAC Name:
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate
InChI:
InChI=1S/C18H16O5/c1-2-17(20)23-11-10-22-14-8-9-15(16(19)12-14)18(21)13-6-4-3-5-7-13/h2-9,12,19H,1,10-11H2
InChI Key:
NMMXJQKTXREVGN-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCOc1ccc(c(c1)O)C(=O)c1ccccc1
EC Number:
240-488-4
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.321g/mol
Monoisotopic Mass:
312.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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