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90069-64-0 | Methanone, (2-hydroxy-1-methylpyrrolo[2,1-a]isoquinolin-3-yl)phenyl-
CAS No: 90069-64-0 Catalog No: AG00H8GM MDL No:
Product Description
Catalog Number:
AG00H8GM
Chemical Name:
Methanone, (2-hydroxy-1-methylpyrrolo[2,1-a]isoquinolin-3-yl)phenyl-
CAS Number:
90069-64-0
Molecular Formula:
C20H15NO2
Molecular Weight:
301.3386
IUPAC Name:
(2-hydroxy-1-methylpyrrolo[2,1-a]isoquinolin-3-yl)-phenylmethanone
InChI:
InChI=1S/C20H15NO2/c1-13-17-16-10-6-5-7-14(16)11-12-21(17)18(19(13)22)20(23)15-8-3-2-4-9-15/h2-12,22H,1H3
InChI Key:
SAQLINGCYCAHAP-UHFFFAOYSA-N
SMILES:
O=C(c1n2ccc3c(c2c(c1O)C)cccc3)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.345g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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