Home Aldehydes 5-(benzyloxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

5-(benzyloxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

CAS No.:
1174307-24-4
Catalog Number:
AG01DV0Z
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
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Product Description
Catalog Number:
AG01DV0Z
Chemical Name:
5-(benzyloxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1174307-24-4
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
MDL Number:
MFCD10692114
IUPAC Name:
1,3-dimethyl-5-phenylmethoxypyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H14N2O2/c1-10-12(8-16)13(15(2)14-10)17-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key:
BHLPTJOOSXVWMX-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1OCc1ccccc1)C
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties