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89532-43-4 | 3-(1H-PYRAZOL-1-YL)PROPANAL
CAS No: 89532-43-4 Catalog No: AG003Z15 MDL No:MFCD03727243
Product Description
Catalog Number:
AG003Z15
Chemical Name:
3-(1H-PYRAZOL-1-YL)PROPANAL
CAS Number:
89532-43-4
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD03727243
IUPAC Name:
3-pyrazol-1-ylpropanal
InChI:
InChI=1S/C6H8N2O/c9-6-2-5-8-4-1-3-7-8/h1,3-4,6H,2,5H2
InChI Key:
BERWHPCSSUZEII-UHFFFAOYSA-N
SMILES:
O=CCCn1cccn1
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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