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Home > Aldehydes > 1866269-59-1
1866269-59-1 | 5-{3-azabicyclo[3.1.0]hexan-3-yl}-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 1866269-59-1 Catalog No: AG01C8VR MDL No:MFCD31443329
Product Description
Catalog Number:
AG01C8VR
Chemical Name:
5-{3-azabicyclo[3.1.0]hexan-3-yl}-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1866269-59-1
Molecular Formula:
C11H15N3O
Molecular Weight:
205.2563
MDL Number:
MFCD31443329
IUPAC Name:
5-(3-azabicyclo[3.1.0]hexan-3-yl)-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H15N3O/c1-7-10(6-15)11(13(2)12-7)14-4-8-3-9(8)5-14/h6,8-9H,3-5H2,1-2H3
InChI Key:
UXDLMEFOABTCCC-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CC2C(C1)C2)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.261g/mol
Monoisotopic Mass:
205.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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