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78425-11-3 | 3-(1H-PYRAZOL-1-YLMETHYL)BENZALDEHYDE
CAS No: 78425-11-3 Catalog No: AG005B5D MDL No:MFCD08059836
Product Description
Catalog Number:
AG005B5D
Chemical Name:
3-(1H-PYRAZOL-1-YLMETHYL)BENZALDEHYDE
CAS Number:
78425-11-3
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD08059836
IUPAC Name:
3-(pyrazol-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c14-9-11-4-1-3-10(7-11)8-13-6-2-5-12-13/h1-7,9H,8H2
InChI Key:
VKSSMLBTEXYZDT-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Cn1cccn1
Properties
Complexity:
196
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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