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135-79-5 | 6-Isopropylquinoline
CAS No: 135-79-5 Catalog No: AG003N93 MDL No:MFCD00047615
Product Description
Catalog Number:
AG003N93
Chemical Name:
6-Isopropylquinoline
CAS Number:
135-79-5
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
MDL Number:
MFCD00047615
IUPAC Name:
6-propan-2-ylquinoline
InChI:
InChI=1S/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3
InChI Key:
NKCQEIXYLHACJC-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)cccn2)C
EC Number:
205-220-2
UNII:
8GE3N8WV7Y
Properties
Complexity:
165
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:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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