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72374-17-5 | Isoquinoline, 5,7-dimethyl- (9CI)
CAS No: 72374-17-5 Catalog No: AG00FTDH MDL No:MFCD18448327
Product Description
Catalog Number:
AG00FTDH
Chemical Name:
Isoquinoline, 5,7-dimethyl- (9CI)
CAS Number:
72374-17-5
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD18448327
IUPAC Name:
5,7-dimethylisoquinoline
InChI:
InChI=1S/C11H11N/c1-8-5-9(2)11-3-4-12-7-10(11)6-8/h3-7H,1-2H3
InChI Key:
OIJHQDWRJQFWQI-UHFFFAOYSA-N
SMILES:
Cc1cc2cnccc2c(c1)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.216g/mol
Monoisotopic Mass:
157.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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