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830324-13-5 | Isoquinoline, 1,4-dihydro-4-methyl-4-(1-methylethenyl)-
CAS No: 830324-13-5 Catalog No: AG00535O MDL No:
Product Description
Catalog Number:
AG00535O
Chemical Name:
Isoquinoline, 1,4-dihydro-4-methyl-4-(1-methylethenyl)-
CAS Number:
830324-13-5
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
4-methyl-4-prop-1-en-2-yl-1H-isoquinoline
InChI:
InChI=1S/C13H15N/c1-10(2)13(3)9-14-8-11-6-4-5-7-12(11)13/h4-7,9H,1,8H2,2-3H3
InChI Key:
DGFKUZPOUABURE-UHFFFAOYSA-N
SMILES:
CC(=C)C1(C)C=NCc2c1cccc2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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