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Home > Aldehydes > 1823402-69-2
1823402-69-2 | 1-(3-methylbutyl)-1H-pyrazole-3-carbaldehyde
CAS No: 1823402-69-2 Catalog No: AG01AOV9 MDL No:MFCD28962866
Product Description
Catalog Number:
AG01AOV9
Chemical Name:
1-(3-methylbutyl)-1H-pyrazole-3-carbaldehyde
CAS Number:
1823402-69-2
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD28962866
IUPAC Name:
1-(3-methylbutyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H14N2O/c1-8(2)3-5-11-6-4-9(7-12)10-11/h4,6-8H,3,5H2,1-2H3
InChI Key:
OLYDKYONOHSORC-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(n1)CCC(C)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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