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1520406-90-9 | 7-(PROPAN-2-YL)ISOQUINOLINE
CAS No: 1520406-90-9 Catalog No: AG01BX52 MDL No:MFCD22097470
Product Description
Catalog Number:
AG01BX52
Chemical Name:
7-(PROPAN-2-YL)ISOQUINOLINE
CAS Number:
1520406-90-9
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
MDL Number:
MFCD22097470
IUPAC Name:
7-propan-2-ylisoquinoline
InChI:
InChI=1S/C12H13N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11/h3-9H,1-2H3
InChI Key:
VTGJBUMOVRFOIT-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)cncc2)C
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:
3.2
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