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318528-53-9 | methyl 3-cyano-4-ethoxybenzoate
CAS No: 318528-53-9 Catalog No: AG01FFVT MDL No:
Product Description
Catalog Number:
AG01FFVT
Chemical Name:
methyl 3-cyano-4-ethoxybenzoate
CAS Number:
318528-53-9
IUPAC Name:
methyl 3-cyano-4-ethoxybenzoate
InChI:
InChI=1S/C11H11NO3/c1-3-15-10-5-4-8(11(13)14-2)6-9(10)7-12/h4-6H,3H2,1-2H3
InChI Key:
QROOLSGRAPIRGK-UHFFFAOYSA-N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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