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884500-88-3 | 4-(Isoquinolin-3-yl)phenol
CAS No: 884500-88-3 Catalog No: AG00GUPW MDL No:MFCD11042297
Product Description
Catalog Number:
AG00GUPW
Chemical Name:
4-(Isoquinolin-3-yl)phenol
CAS Number:
884500-88-3
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
MDL Number:
MFCD11042297
IUPAC Name:
4-isoquinolin-3-ylphenol
InChI:
InChI=1S/C15H11NO/c17-14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-16-15/h1-10,17H
InChI Key:
VNXUAZCSHFABMS-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ncc2c(c1)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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