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Home > Aldehydes > 887922-90-9
887922-90-9 | 4-((1H-Pyrazol-1-yl);methyl);benzaldehyde
CAS No: 887922-90-9 Catalog No: AG004B11 MDL No:MFCD08059835
Product Description
Catalog Number:
AG004B11
Chemical Name:
4-((1H-Pyrazol-1-yl);methyl);benzaldehyde
CAS Number:
887922-90-9
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08059835
IUPAC Name:
4-(pyrazol-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c14-9-11-4-2-10(3-5-11)8-13-7-1-6-12-13/h1-7,9H,8H2
InChI Key:
FAURNROAEFQBHX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Cn1cccn1
Properties
Complexity:
188
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:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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