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477250-22-9 | METHYL 3-ISOQUINOLIN-4-YL-ACRYLATE
CAS No: 477250-22-9 Catalog No: AG00DGPK MDL No:
Product Description
Catalog Number:
AG00DGPK
Chemical Name:
METHYL 3-ISOQUINOLIN-4-YL-ACRYLATE
CAS Number:
477250-22-9
IUPAC Name:
methyl (E)-3-isoquinolin-4-ylprop-2-enoate
InChI:
InChI=1S/C13H11NO2/c1-16-13(15)7-6-11-9-14-8-10-4-2-3-5-12(10)11/h2-9H,1H3/b7-6+
InChI Key:
PUGNCMWPWJFYCX-VOTSOKGWSA-N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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