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1785012-25-0 | 2-tert-butyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbaldehyde
CAS No: 1785012-25-0 Catalog No: AG01BSNF MDL No:MFCD30727304
Product Description
Catalog Number:
AG01BSNF
Chemical Name:
2-tert-butyl-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbaldehyde
CAS Number:
1785012-25-0
Molecular Formula:
C11H16N2O
Molecular Weight:
192.2575
MDL Number:
MFCD30727304
IUPAC Name:
2-tert-butyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
InChI:
InChI=1S/C11H16N2O/c1-11(2,3)13-10(7-14)8-5-4-6-9(8)12-13/h7H,4-6H2,1-3H3
InChI Key:
XUJZBTTZPPLXEI-UHFFFAOYSA-N
SMILES:
O=Cc1c2CCCc2nn1C(C)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.262g/mol
Monoisotopic Mass:
192.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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