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100696-49-9 | Benzoic acid, 4-methoxy-, 4-(2-propen-1-yloxy)phenyl ester
CAS No: 100696-49-9 Catalog No: AG0002NE MDL No:
Product Description
Catalog Number:
AG0002NE
Chemical Name:
Benzoic acid, 4-methoxy-, 4-(2-propen-1-yloxy)phenyl ester
CAS Number:
100696-49-9
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
InChI:
InChI=1S/C17H16O4/c1-3-12-20-15-8-10-16(11-9-15)21-17(18)13-4-6-14(19-2)7-5-13/h3-11H,1,12H2,2H3
InChI Key:
HFWQJDNXLXTRJU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1ccc(cc1)OCC=C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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