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Home > Aldehydes > 823236-20-0
823236-20-0 | 7-Isoquinolinecarboxaldehyde, 1-(1,1-dimethylethyl)-3,4-dihydro-
CAS No: 823236-20-0 Catalog No: AG004YR7 MDL No:
Product Description
Catalog Number:
AG004YR7
Chemical Name:
7-Isoquinolinecarboxaldehyde, 1-(1,1-dimethylethyl)-3,4-dihydro-
CAS Number:
823236-20-0
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
IUPAC Name:
1-tert-butyl-3,4-dihydroisoquinoline-7-carbaldehyde
InChI:
InChI=1S/C14H17NO/c1-14(2,3)13-12-8-10(9-16)4-5-11(12)6-7-15-13/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
GPMMOBKDDVPMEH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C(=NCC2)C(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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