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74471-18-4 | Benzoic acid, 4-methoxy-, 4-cyanophenyl ester
CAS No: 74471-18-4 Catalog No: AG005BFD MDL No:
Product Description
Catalog Number:
AG005BFD
Chemical Name:
Benzoic acid, 4-methoxy-, 4-cyanophenyl ester
CAS Number:
74471-18-4
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
(4-cyanophenyl) 4-methoxybenzoate
InChI:
InChI=1S/C15H11NO3/c1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14/h2-9H,1H3
InChI Key:
FUEVOZVWRDBZFY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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