Home Other Building Blocks 2-(1-BENZYLPYRAZOL-4-YL)PROPANEDIAL

2-(1-BENZYLPYRAZOL-4-YL)PROPANEDIAL

CAS No.:
957016-03-4
Catalog Number:
AG01DWX7
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG01DWX7
Chemical Name:
2-(1-BENZYLPYRAZOL-4-YL)PROPANEDIAL
CAS Number:
957016-03-4
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD08517771
IUPAC Name:
2-(1-benzylpyrazol-4-yl)propanedial
InChI:
InChI=1S/C13H12N2O2/c16-9-13(10-17)12-6-14-15(8-12)7-11-4-2-1-3-5-11/h1-6,8-10,13H,7H2
InChI Key:
NTYXJBRJUXNGAD-UHFFFAOYSA-N
SMILES:
O=CC(c1cnn(c1)Cc1ccccc1)C=O
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties