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114482-61-0 | Benzoic acid, 4-methoxy-, 4-(3-buten-1-yloxy)phenyl ester
CAS No: 114482-61-0 Catalog No: AG000EIX MDL No:
Product Description
Catalog Number:
AG000EIX
Chemical Name:
Benzoic acid, 4-methoxy-, 4-(3-buten-1-yloxy)phenyl ester
CAS Number:
114482-61-0
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
(4-but-3-enoxyphenyl) 4-methoxybenzoate
InChI:
InChI=1S/C18H18O4/c1-3-4-13-21-16-9-11-17(12-10-16)22-18(19)14-5-7-15(20-2)8-6-14/h3,5-12H,1,4,13H2,2H3
InChI Key:
NYLQIBUIWUSWGU-UHFFFAOYSA-N
SMILES:
C=CCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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