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1557436-46-0 | 2-(propan-2-yl)-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbaldehyde
CAS No: 1557436-46-0 Catalog No: AG01BSNI MDL No:MFCD30727307
Product Description
Catalog Number:
AG01BSNI
Chemical Name:
2-(propan-2-yl)-2H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbaldehyde
CAS Number:
1557436-46-0
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD30727307
IUPAC Name:
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
InChI:
InChI=1S/C10H14N2O/c1-7(2)12-10(6-13)8-4-3-5-9(8)11-12/h6-7H,3-5H2,1-2H3
InChI Key:
NRJBDVAMLBGWCE-UHFFFAOYSA-N
SMILES:
O=Cc1n(nc2c1CCC2)C(C)C
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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