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Home > Aldehydes > 1250629-08-3
1250629-08-3 | 3-cyclopentyl-1-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 1250629-08-3 Catalog No: AG01AIPV MDL No:MFCD16830365
Product Description
Catalog Number:
AG01AIPV
Chemical Name:
3-cyclopentyl-1-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1250629-08-3
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD16830365
IUPAC Name:
3-cyclopentyl-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H14N2O/c1-12-6-9(7-13)10(11-12)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChI Key:
GHQGKTGUNDFKTG-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C1CCCC1)C
Properties
Complexity:
189
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:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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