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88075-65-4 | Pyrano[4,3-c]pyrazol-3(2H)-one, 6,7-dihydro-4,6,6-trimethyl-2-phenyl-
CAS No: 88075-65-4 Catalog No: AG004HPP MDL No:
Product Description
Catalog Number:
AG004HPP
Chemical Name:
Pyrano[4,3-c]pyrazol-3(2H)-one, 6,7-dihydro-4,6,6-trimethyl-2-phenyl-
CAS Number:
88075-65-4
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
4,6,6-trimethyl-2-phenyl-7H-pyrano[4,3-c]pyrazol-3-one
InChI:
InChI=1S/C15H16N2O2/c1-10-13-12(9-15(2,3)19-10)16-17(14(13)18)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChI Key:
VQCNVYXFOITJQM-UHFFFAOYSA-N
SMILES:
CC1=C2C(=NN(C2=O)c2ccccc2)CC(O1)(C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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