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1285065-74-8 | 1-(cyclobutylmethyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1285065-74-8 Catalog No: AG01BND0 MDL No:MFCD17292525
Product Description
Catalog Number:
AG01BND0
Chemical Name:
1-(cyclobutylmethyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1285065-74-8
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD17292525
IUPAC Name:
1-(cyclobutylmethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c12-7-9-4-10-11(6-9)5-8-2-1-3-8/h4,6-8H,1-3,5H2
InChI Key:
VCSJAYMPUKYLDV-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)CC1CCC1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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