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Home > Aldehydes > 1256807-46-1
1256807-46-1 | 7-Isoquinolinecarboxaldehyde, 1-amino-
CAS No: 1256807-46-1 Catalog No: AG000ODO MDL No:MFCD18257029
Product Description
Catalog Number:
AG000ODO
Chemical Name:
7-Isoquinolinecarboxaldehyde, 1-amino-
CAS Number:
1256807-46-1
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD18257029
IUPAC Name:
1-aminoisoquinoline-7-carbaldehyde
InChI:
InChI=1S/C10H8N2O/c11-10-9-5-7(6-13)1-2-8(9)3-4-12-10/h1-6H,(H2,11,12)
InChI Key:
VOEIBIGIMNRHCF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c(N)ncc2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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