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790304-84-6 | Isoquinoline, 6-(1-methylethyl)- (9CI)
CAS No: 790304-84-6 Catalog No: AG00G8JI MDL No:
Product Description
Catalog Number:
AG00G8JI
Chemical Name:
Isoquinoline, 6-(1-methylethyl)- (9CI)
CAS Number:
790304-84-6
IUPAC Name:
6-propan-2-ylisoquinoline
InChI:
InChI=1S/C12H13N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-9H,1-2H3
InChI Key:
ILBIJOWSHVGZPU-UHFFFAOYSA-N
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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