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156742-51-7 | [1]Benzopyrano[4,3-b]pyrrol-4(1H)-one, 1,3-dimethyl-
CAS No: 156742-51-7 Catalog No: AG001OYP MDL No:
Product Description
Catalog Number:
AG001OYP
Chemical Name:
[1]Benzopyrano[4,3-b]pyrrol-4(1H)-one, 1,3-dimethyl-
CAS Number:
156742-51-7
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
1,3-dimethylchromeno[4,3-b]pyrrol-4-one
InChI:
InChI=1S/C13H11NO2/c1-8-7-14(2)12-9-5-3-4-6-10(9)16-13(15)11(8)12/h3-7H,1-2H3
InChI Key:
GSNMOFGLRVWJBK-UHFFFAOYSA-N
SMILES:
Cn1cc(c2c1c1ccccc1oc2=O)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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