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Home > Aldehydes > 1554316-04-9
1554316-04-9 | 3-cyclopentyl-1-methyl-1H-pyrazole-5-carbaldehyde
CAS No: 1554316-04-9 Catalog No: AG01DQE9 MDL No:
Product Description
Catalog Number:
AG01DQE9
Chemical Name:
3-cyclopentyl-1-methyl-1H-pyrazole-5-carbaldehyde
CAS Number:
1554316-04-9
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
5-cyclopentyl-2-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C10H14N2O/c1-12-9(7-13)6-10(11-12)8-4-2-3-5-8/h6-8H,2-5H2,1H3
InChI Key:
XEZNXSPNTZTIGB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1C)C1CCCC1
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:
1.7
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