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Home > Aldehydes > 199682-73-0
199682-73-0 | 1H-Pyrazole-4-carboxaldehyde, 3-(4-methoxyphenyl)-
CAS No: 199682-73-0 Catalog No: AG002CA6 MDL No:MFCD01133696
Product Description
Catalog Number:
AG002CA6
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(4-methoxyphenyl)-
CAS Number:
199682-73-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD01133696
IUPAC Name:
5-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O2/c1-15-10-4-2-8(3-5-10)11-9(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChI Key:
QSGGFCPKXTULQQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]cc1C=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^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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