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89317-59-9 | Quinoline, 1,4-dihydro-1,2,3-trimethyl-
CAS No: 89317-59-9 Catalog No: AG003YII MDL No:
Product Description
Catalog Number:
AG003YII
Chemical Name:
Quinoline, 1,4-dihydro-1,2,3-trimethyl-
CAS Number:
89317-59-9
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
IUPAC Name:
1,2,3-trimethyl-4H-quinoline
InChI:
InChI=1S/C12H15N/c1-9-8-11-6-4-5-7-12(11)13(3)10(9)2/h4-7H,8H2,1-3H3
InChI Key:
BSAUVWPKEQLQOJ-UHFFFAOYSA-N
SMILES:
CC1=C(C)Cc2c(N1C)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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