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80278-67-7 | Isoquinoline-5-carbaldehyde
CAS No: 80278-67-7 Catalog No: AG005BS5 MDL No:MFCD03412483
Product Description
Catalog Number:
AG005BS5
Chemical Name:
Isoquinoline-5-carbaldehyde
CAS Number:
80278-67-7
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD03412483
IUPAC Name:
isoquinoline-5-carbaldehyde
InChI:
InChI=1S/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H
InChI Key:
ILRSABOCKMOFGW-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1ccnc2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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