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87870-21-1 | Isoquinoline, 3,4-dihydro-4-methyl-1-phenyl-
CAS No: 87870-21-1 Catalog No: AG004G51 MDL No:
Product Description
Catalog Number:
AG004G51
Chemical Name:
Isoquinoline, 3,4-dihydro-4-methyl-1-phenyl-
CAS Number:
87870-21-1
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
4-methyl-1-phenyl-3,4-dihydroisoquinoline
InChI:
InChI=1S/C16H15N/c1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12H,11H2,1H3
InChI Key:
IEUZDMOVRGODGO-UHFFFAOYSA-N
SMILES:
CC1CN=C(c2c1cccc2)c1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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