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145691-66-3 | 2-Propenoic acid, 3,3'-[5-(hydroxymethyl)-1,3-phenylene]bis-, diethyl ester (9CI)
CAS No: 145691-66-3 Catalog No: AG001DB0 MDL No:
Product Description
Catalog Number:
AG001DB0
Chemical Name:
2-Propenoic acid, 3,3'-[5-(hydroxymethyl)-1,3-phenylene]bis-, diethyl ester (9CI)
CAS Number:
145691-66-3
Molecular Formula:
C17H20O5
Molecular Weight:
304.3377
IUPAC Name:
ethyl 3-[3-(3-ethoxy-3-oxoprop-1-enyl)-5-(hydroxymethyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C17H20O5/c1-3-21-16(19)7-5-13-9-14(11-15(10-13)12-18)6-8-17(20)22-4-2/h5-11,18H,3-4,12H2,1-2H3
InChI Key:
LCCJQRMYJMUKGK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1cc(C=CC(=O)OCC)cc(c1)CO
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.342g/mol
Monoisotopic Mass:
304.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.3
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