4-Formylisoquinoline

CAT: 0024-sc-261984Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-261984Size:1 g

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CAS Number

22960-16-3

Chemical Information

Isoquinoline-4-carbaldehyde

CAS Number	22960-16-3
PubChem CID	10868870
IUPAC Name	isoquinoline-4-carbaldehyde
Molecular Formula	C10H7NO
Molecular Weight	157.17
XLogP	1.6
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

C1=CC=C2C(=C1)C=NC=C2C=O

InChI

InChI=1S/C10H7NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-7H

InChIKey

RNQQJLYJLDQGGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22960-16-3

CID: 10868870

Formula: C10H7NO

MW: 157.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.17
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	157.052763847
Monoisotopic Mass	157.052763847
Topological Polar Surface Area	30 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
231924-01	3-Formylisoquinoline 98+% (HPLC)
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid