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90061-47-5 | 2(1H)-Quinolinone, 4-hydroxy-3-propoxy-
CAS No: 90061-47-5 Catalog No: AG00H8S2 MDL No:
Product Description
Catalog Number:
AG00H8S2
Chemical Name:
2(1H)-Quinolinone, 4-hydroxy-3-propoxy-
CAS Number:
90061-47-5
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
4-hydroxy-3-propoxy-1H-quinolin-2-one
InChI:
InChI=1S/C12H13NO3/c1-2-7-16-11-10(14)8-5-3-4-6-9(8)13-12(11)15/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChI Key:
GXDYTXBLZLMJQP-UHFFFAOYSA-N
SMILES:
CCCOc1c(=O)[nH]c2c(c1O)cccc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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