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300661-48-7 | Isoquinoline, 1,2-dihydro-2-(1-oxopropyl)- (9CI)
CAS No: 300661-48-7 Catalog No: AG00BUVH MDL No:
Product Description
Catalog Number:
AG00BUVH
Chemical Name:
Isoquinoline, 1,2-dihydro-2-(1-oxopropyl)- (9CI)
CAS Number:
300661-48-7
IUPAC Name:
1-(1H-isoquinolin-2-yl)propan-1-one
InChI:
InChI=1S/C12H13NO/c1-2-12(14)13-8-7-10-5-3-4-6-11(10)9-13/h3-8H,2,9H2,1H3
InChI Key:
MDQZPKUGTZFVJY-UHFFFAOYSA-N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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