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Home Aldehydes 1-Phenyl-1H-pyrazole-4-carbaldehyde

1-Phenyl-1H-pyrazole-4-carbaldehyde

CAS No.:
54605-72-0
Catalog Number:
AG00I9R9
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$125
- +
10g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00I9R9
Chemical Name:
1-Phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
54605-72-0
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD28969563
IUPAC Name:
1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H8N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-8H
InChI Key:
PHVRLPFVPVKYOI-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)c1ccccc1
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
1-Phenyl-1H-pyrazole-4-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20120401
(E)-1-(Naphthalen-1-yl)-3-(1-phenyl-1H-pyrazol-4-yl)prop-2-en-1-one. Acta crystallographica. Section E, Structure reports online 20111001
Properties