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87087-21-6 | TRANS-3-(ISOQUINOLIN-5-YL)ACRYLIC ACID
CAS No: 87087-21-6 Catalog No: AG00H0DG MDL No:
Product Description
Catalog Number:
AG00H0DG
Chemical Name:
TRANS-3-(ISOQUINOLIN-5-YL)ACRYLIC ACID
CAS Number:
87087-21-6
IUPAC Name:
(E)-3-isoquinolin-5-ylprop-2-enoic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)5-4-9-2-1-3-10-8-13-7-6-11(9)10/h1-8H,(H,14,15)/b5-4+
InChI Key:
LTRLMZADZIVBNC-SNAWJCMRSA-N
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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