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93325-40-7 | 2-(1,3-benzodioxol-5-yl)-1-(1h-indol-3-yl)ethanone
CAS No: 93325-40-7 Catalog No: AG006GU6 MDL No:
Product Description
Catalog Number:
AG006GU6
Chemical Name:
2-(1,3-benzodioxol-5-yl)-1-(1h-indol-3-yl)ethanone
CAS Number:
93325-40-7
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1-(1H-indol-3-yl)ethanone
InChI:
InChI=1S/C17H13NO3/c19-15(13-9-18-14-4-2-1-3-12(13)14)7-11-5-6-16-17(8-11)21-10-20-16/h1-6,8-9,18H,7,10H2
InChI Key:
XKURNVSKRZZDCH-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)Cc1ccc2c(c1)OCO2
NSC Number:
105337
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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