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2059940-65-5 | 5,7,8-trimethylisoquinoline
CAS No: 2059940-65-5 Catalog No: AG01BX55 MDL No:MFCD30477779
Product Description
Catalog Number:
AG01BX55
Chemical Name:
5,7,8-trimethylisoquinoline
CAS Number:
2059940-65-5
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
MDL Number:
MFCD30477779
IUPAC Name:
5,7,8-trimethylisoquinoline
InChI:
InChI=1S/C12H13N/c1-8-6-9(2)11-4-5-13-7-12(11)10(8)3/h4-7H,1-3H3
InChI Key:
IHSUKFAXSCZYOC-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c2c1ccnc2)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:
3.2
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