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86100-07-4 | [1]Benzopyrano[4,3-c]pyrazol-4(2H)-one, 3-methyl-2-phenyl-
CAS No: 86100-07-4 Catalog No: AG004TXO MDL No:
Product Description
Catalog Number:
AG004TXO
Chemical Name:
[1]Benzopyrano[4,3-c]pyrazol-4(2H)-one, 3-methyl-2-phenyl-
CAS Number:
86100-07-4
Molecular Formula:
C17H12N2O2
Molecular Weight:
276.2894
IUPAC Name:
3-methyl-2-phenylchromeno[4,3-c]pyrazol-4-one
InChI:
InChI=1S/C17H12N2O2/c1-11-15-16(18-19(11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-17(15)20/h2-10H,1H3
InChI Key:
VJSRCIFAUSKZHJ-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c2c1c(C)n(n2)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.295g/mol
Monoisotopic Mass:
276.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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