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1004365-13-2 | 3
CAS No: 1004365-13-2 Catalog No: AG01FO85 MDL No:
Product Description
Catalog Number:
AG01FO85
Chemical Name:
3
CAS Number:
1004365-13-2
IUPAC Name:
3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H14N2O/c1-7(2)5-12-9(4)10(6-13)8(3)11-12/h6H,1,5H2,2-4H3
InChI Key:
BENSAAFMOSMIHX-UHFFFAOYSA-N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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