Cinnoline-3-carbaldehyde

HCID 17859657
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Basic information

CAS
51073-57-5
Standard SMILES
O=Cc1cc2ccccc2nn1
InChIKey
IVZANHPQJIQFAX-UHFFFAOYSA-N
Molecular formula
C9H6N2O
Average molar mass
158.16 g/mol
Monoisotopic mass
158.04801281

Names & identifiers

Preferred name
Cinnoline-3-carbaldehyde
IUPAC
cinnoline-3-carbaldehyde
English name
3-cinnolinecarboxaldehyde
Molecular formula
C9H6N2O
Molecular weight
158.16

Names & synonyms

CINNOLINE-3-CARBALDEHYDE51073-57-5DTXSID50591332RefChem:334180DTXCID005420963-CinnolinecarboxaldehydeSCHEMBL224647SCHEMBL379404SCHEMBL20600550SCHEMBL29953056IVZANHPQJIQFAX-UHFFFAOYSA-NAKOS006272043
Show more names
DB-080672CS-0021464

Database identifiers

CAS
51073-57-5
PubChem CID
17859657
DTXSID
DTXSID50591332

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
42.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

storage temp.
2 · 2-8°C
form
solid
InChI
1S/C9H6N2O/c12-6-8-5-7-3-1-2-4-9(7)11-10-8/h1-6H
InChIKey
IVZANHPQJIQFAX-UHFFFAOYSA-N
SMILES
O=CC1=NN=C(C=CC=C2)C2=C1
UNSPSC Code
12352200 · 12352200

Safety & regulation

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H315-H319-H335
Hazard Classifications
Skin Sens. 1

Chemistry & industry

Applications

Uses3-Cinnolinecarboxaldehyde is a compound used in studies of the synthesis of schizocommunin (272119-70-7).

Suppliers11 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉华瀚鼎诚新材料科技有限公司027-81388558 18963961905 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海宏合医药科技有限公司18352536981

Related reactions

4 records
New reaction record

Compound notes

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