Home Aldehydes 879996-61-9
879996-61-9,MFCD06662329
Catalog No.:AA00J732
879996-61-9 | 3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$452.00
- +
500mg
95.0%
3 weeks  
$468.00
- +
1g
95.0%
3 weeks  
$488.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00J732
Chemical Name:
3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
879996-61-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD06662329
IUPAC Name:
5-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-8-3-2-4-9(5-8)11-10(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChI Key:
DMYBJXNQJAEREE-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cccc(c1)C
Properties
Computed Properties
 
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
3-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde 
879996-61-9 
ZINC8306772 
MFCD06662329 
SBB006798 
STK505521 
AKOS000321264 
AKOS016343333 
5-m-Tolyl-1H-pyrazole-4-carbaldehyde 
MCULE-5160967761 
NE24607 
NCGC00324273-01 
5-(3-methylphenyl)-1H-pyrazole-4-carbaldehyde 
ST058719 
TR-060738 
BB 0249022 
R9294 
EN300-69241 
AB01319726-02 
ZINC08306772 
CID9430043 
3-m-Tolyl-1H-pyrazole-4-carbaldehyde 
3-(m-Tolyl)-1H-pyrazole-4-carbaldehyde 
3-(3-methylphenyl)pyrazole-4-carbaldehyde 
AC1Q2GZ2 
CTK7H8452 
CTK8F4648 
ALBB-008714 
Literature
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