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118672-70-1 | 7-METHOXY-1-METHYL-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBALDEHYDE
CAS No: 118672-70-1 Catalog No: AG01C6FG MDL No:MFCD08741809
Product Description
Catalog Number:
AG01C6FG
Chemical Name:
7-METHOXY-1-METHYL-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBALDEHYDE
CAS Number:
118672-70-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD08741809
IUPAC Name:
7-methoxy-1-methyl-2-oxoquinoline-3-carbaldehyde
InChI:
InChI=1S/C12H11NO3/c1-13-11-6-10(16-2)4-3-8(11)5-9(7-14)12(13)15/h3-7H,1-2H3
InChI Key:
USZZQHXFNKXDHV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C)c(=O)c(c2)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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