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Home > Aldehydes > 1155595-91-7
1155595-91-7 | 1H-pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(2-propenyl)-
CAS No: 1155595-91-7 Catalog No: AG008V38 MDL No:MFCD12103568
Product Description
Catalog Number:
AG008V38
Chemical Name:
1H-pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(2-propenyl)-
CAS Number:
1155595-91-7
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD12103568
IUPAC Name:
3,5-dimethyl-1-prop-2-enylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c1-4-5-11-8(3)9(6-12)7(2)10-11/h4,6H,1,5H2,2-3H3
InChI Key:
ADAFMKMRZDCHLP-UHFFFAOYSA-N
SMILES:
C=CCn1nc(c(c1C)C=O)C
Properties
Complexity:
181
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:
1.2
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