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208348-23-6 | 2(1H)-Isoquinolinecarboxaldehyde
CAS No: 208348-23-6 Catalog No: AG002JNL MDL No:
Product Description
Catalog Number:
AG002JNL
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde
CAS Number:
208348-23-6
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C10H9NO/c12-8-11-6-5-9-3-1-2-4-10(9)7-11/h1-6,8H,7H2
InChI Key:
RKIQWXMIFPFQFP-UHFFFAOYSA-N
SMILES:
O=CN1C=Cc2c(C1)cccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Dynamic multi-component covalent assembly for the reversible binding of secondary alcohols and chirality sensing. | Nature chemistry 20111201 |
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