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42997-25-1 | 3-allyl-2,4-quinolinediol
CAS No: 42997-25-1 Catalog No: AG00707R MDL No:
Product Description
Catalog Number:
AG00707R
Chemical Name:
3-allyl-2,4-quinolinediol
CAS Number:
42997-25-1
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
4-hydroxy-3-prop-2-enyl-1H-quinolin-2-one
InChI:
InChI=1S/C12H11NO2/c1-2-5-9-11(14)8-6-3-4-7-10(8)13-12(9)15/h2-4,6-7H,1,5H2,(H2,13,14,15)
InChI Key:
RBJWVYAOEWLLGM-UHFFFAOYSA-N
SMILES:
C=CCc1c(O)nc2c(c1O)cccc2
NSC Number:
675806
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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