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Home > Aldehydes > 114561-35-2
114561-35-2 | "6-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde"
CAS No: 114561-35-2 Catalog No: AG01FMQL MDL No:MFCD07364422
Product Description
Catalog Number:
AG01FMQL
Chemical Name:
"6-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde"
CAS Number:
114561-35-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD07364422
IUPAC Name:
6-methoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
InChI:
InChI=1S/C12H11NO3/c1-13-11-4-3-10(16-2)6-8(11)5-9(7-14)12(13)15/h3-7H,1-2H3
InChI Key:
AHJZBLOCNWNCMB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)n2C)C=O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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