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88499-90-5 | Quinoline, 3,5,6-trimethyl-
CAS No: 88499-90-5 Catalog No: AG00498N MDL No:
Product Description
Catalog Number:
AG00498N
Chemical Name:
Quinoline, 3,5,6-trimethyl-
CAS Number:
88499-90-5
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
3,5,6-trimethylquinoline
InChI:
InChI=1S/C12H13N/c1-8-6-11-10(3)9(2)4-5-12(11)13-7-8/h4-7H,1-3H3
InChI Key:
JZSQJCAATYDKHU-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)c(C)c(cc2)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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