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248243-85-8 | 3H-Indol-3-one, 1,2-dihydro-2-(1H-pyrrol-2-ylmethylene)-, (2Z)-
CAS No: 248243-85-8 Catalog No: AG002PK6 MDL No:
Product Description
Catalog Number:
AG002PK6
Chemical Name:
3H-Indol-3-one, 1,2-dihydro-2-(1H-pyrrol-2-ylmethylene)-, (2Z)-
CAS Number:
248243-85-8
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
2-(1H-pyrrol-2-ylmethylidene)-1H-indol-3-one
InChI:
InChI=1S/C13H10N2O/c16-13-10-5-1-2-6-11(10)15-12(13)8-9-4-3-7-14-9/h1-8,14-15H
InChI Key:
XOUWZQOFPBYBQC-UHFFFAOYSA-N
SMILES:
O=C1/C(=C/c2ccc[nH]2)/Nc2c1cccc2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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