1,5-Diacetylindoline

CAT: 0024-sc-223074Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223074Size:1 g

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CAS Number

16078-35-6

Chemical Information

1,5-Diacetylindoline

CAS Number	16078-35-6
PubChem CID	3280850
IUPAC Name	1-(1-acetyl-2,3-dihydroindol-5-yl)ethanone
Molecular Formula	C12H13NO2
Molecular Weight	203.24
XLogP	1
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	287

SMILES

CC(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C

InChI

InChI=1S/C12H13NO2/c1-8(14)10-3-4-12-11(7-10)5-6-13(12)9(2)15/h3-4,7H,5-6H2,1-2H3

InChIKey

DDTZNSOMVMYKHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16078-35-6

CID: 3280850

Formula: C12H13NO2

MW: 203.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.24
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	203.094628657
Monoisotopic Mass	203.094628657
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-265045	1,3-Diacetylindole
sc-222759A	1,1,1,3,5,5,5-Heptamethyltrisiloxane
sc-222759	1,1,1,3,5,5,5-Heptamethyltrisiloxane
sc-258879A	1,1,1,5,5,5-Hexafluoro-3-azapentane
sc-258879	1,1,1,5,5,5-Hexafluoro-3-azapentane
sc-224957	1,5-Dibromo-1,1,3,3,5,5-hexafluoropentane
sc-492108	1,3,3,5-Tetramethyl-1,1,5,5-tetraphenyltrisiloxane
sc-223094	1,5,5-Trimethylhydantoin
sc-506846	1-Bromo-5-chloro-1,1,3,3,5,5-hexafluoropentane
sc-222758	1,1,1,2,3,4,4,5,5,5-Decafluoropentane

Catalog	Name
PC109916	1,1,1,5,5,5-Hexafluoroacetylacetone
PC450178-01	1,1,1,5,5,5-Hexafluoropentane
TRC-D425591-25MG	1,5-Dibromopentane-1,1,5,5-d4
OR1009000	1,1,1,3,5,5,5-Heptamethyltrisiloxane
H01385	1 1 1 3 5 5 5-Heptamethyltrisiloxane
TRC-P207700-5MG	1,5-Pentane-1,1,5,5-d4-diamine
PC3806	1,1,1,3,5,5,5-Heptafluoroacetylacetone dihydrate
HY-W013518R	1,1,1,3,5,5,5-Heptamethyltrisiloxane (Standard)
TRC-H296725-10MG	1,1,3,3,5,5-Hexamethyltrisiloxane-1,5-diol
OR1068853-01	1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane