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827612-14-6 | Quinoline, 6-methoxy-4,5-dimethyl-
CAS No: 827612-14-6 Catalog No: AG008IPD MDL No:
Product Description
Catalog Number:
AG008IPD
Chemical Name:
Quinoline, 6-methoxy-4,5-dimethyl-
CAS Number:
827612-14-6
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
6-methoxy-4,5-dimethylquinoline
InChI:
InChI=1S/C12H13NO/c1-8-6-7-13-10-4-5-11(14-3)9(2)12(8)10/h4-7H,1-3H3
InChI Key:
ZSSVTTRKVQLLAH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C)c(C)ccn2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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