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87869-94-1 | Benz[h]isoquinoline, 1,4-dihydro-4-methyl-
CAS No: 87869-94-1 Catalog No: AG008CGI MDL No:
Product Description
Catalog Number:
AG008CGI
Chemical Name:
Benz[h]isoquinoline, 1,4-dihydro-4-methyl-
CAS Number:
87869-94-1
Molecular Formula:
C14H13N
Molecular Weight:
195.2597
IUPAC Name:
4-methyl-1,4-dihydrobenzo[h]isoquinoline
InChI:
InChI=1S/C14H13N/c1-10-8-15-9-14-12(10)7-6-11-4-2-3-5-13(11)14/h2-8,10H,9H2,1H3
InChI Key:
CBYIUYBTNUMCRP-UHFFFAOYSA-N
SMILES:
CC1C=NCc2c1ccc1c2cccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.265g/mol
Monoisotopic Mass:
195.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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