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679433-92-2 | Isoquinoline, 6-ethyl- (9CI)
CAS No: 679433-92-2 Catalog No: AG00FTDT MDL No:MFCD15526640
Product Description
Catalog Number:
AG00FTDT
Chemical Name:
Isoquinoline, 6-ethyl- (9CI)
CAS Number:
679433-92-2
Molecular Formula:
C11H11N
Molecular Weight:
157.2117
MDL Number:
MFCD15526640
IUPAC Name:
6-ethylisoquinoline
InChI:
InChI=1S/C11H11N/c1-2-9-3-4-11-8-12-6-5-10(11)7-9/h3-8H,2H2,1H3
InChI Key:
ZJRSNRBJQIBSIW-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)ccnc2
Properties
Complexity:
144
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:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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