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860649-07-6 | 4-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-chromen-2-one
CAS No: 860649-07-6 Catalog No: AG00IP9E MDL No:MFCD05974927
Product Description
Catalog Number:
AG00IP9E
Chemical Name:
4-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-chromen-2-one
CAS Number:
860649-07-6
Molecular Formula:
C18H15NO3
Molecular Weight:
293.3166
MDL Number:
MFCD05974927
IUPAC Name:
4-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)chromen-2-one
InChI:
InChI=1S/C18H15NO3/c20-17-13-7-3-4-8-14(13)22-18(21)15(17)16-12-6-2-1-5-11(12)9-10-19-16/h1-8,16,19-20H,9-10H2
InChI Key:
PFVOVIRMXZOBKV-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c(c1C1NCCc2c1cccc2)O
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.322g/mol
Monoisotopic Mass:
293.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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