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1226694-29-6 | 1-isopropyl-1H-pyrazole-3-carbaldehyde
CAS No: 1226694-29-6 Catalog No: AG00A076 MDL No:MFCD20491490
Product Description
Catalog Number:
AG00A076
Chemical Name:
1-isopropyl-1H-pyrazole-3-carbaldehyde
CAS Number:
1226694-29-6
Molecular Formula:
C7H10N2O
Molecular Weight:
138.1671
MDL Number:
MFCD20491490
IUPAC Name:
1-propan-2-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C7H10N2O/c1-6(2)9-4-3-7(5-10)8-9/h3-6H,1-2H3
InChI Key:
BQLFIVZVVNOHEI-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(n1)C(C)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.17g/mol
Monoisotopic Mass:
138.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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