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89216-21-7 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(1-methyl-2-oxobutyl)-
CAS No: 89216-21-7 Catalog No: AG00460O MDL No:
Product Description
Catalog Number:
AG00460O
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(1-methyl-2-oxobutyl)-
CAS Number:
89216-21-7
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
1-(3-oxopentan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C15H19NO2/c1-3-14(18)11(2)15-13-7-5-4-6-12(13)8-9-16(15)10-17/h4-7,10-11,15H,3,8-9H2,1-2H3
InChI Key:
XQOFYCUTNOABPV-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1C(C(=O)CC)C)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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