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26033-20-5 | 1H-Pyrazole-4-carboxaldehyde, 3-phenyl-
CAS No: 26033-20-5 Catalog No: AG002RFS MDL No:MFCD00216971
Product Description
Catalog Number:
AG002RFS
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-phenyl-
CAS Number:
26033-20-5
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00216971
IUPAC Name:
5-phenyl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H8N2O/c13-7-9-6-11-12-10(9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChI Key:
OCCFXKQCKSLEII-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccccc1
NSC Number:
157355
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:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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