C1C(=O)CC2=CC=CC=C21
CAS: 615-13-4
Name: 1,3-dihydroinden-2-one
SMILES: C1C(=O)CC2=CC=CC=C21

Molecular Processing

Molecular formula
C9H8O
Molecular weight
132.16
Exact mass
132.0575
XLogP
1.35
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
38.86

Supplementary Information

InChIKey: UMJJFEIKYGFCAT-UHFFFAOYSA-N
Synonyme
2-INDANONEIndan-2-one1,3-Dihydro-2H-inden-2-one2H-Inden-2-one, 1,3-dihydro-1,3-dihydroinden-2-oneDTXSID7052288b-HydrindoneEINECS 210-410-3UNII-0I79N673DEBRN 0636550AI3-391630I79N673DE4-07-00-01002 (Beilstein Handbook Reference)DTXCID1030860CHEBI:27930RefChem:87640InChI=1/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6HUMJJFEIKYGFCAT-UHFFFAOYSA-N615-13-41h-inden-2(3h)-onebeta-Hydrindone2,3-dihydro-1H-inden-2-oneMFCD00003792CHEMBL195557a-hydrindone2-Oxoindane.beta.-Hydrindoneindan-2-on2-Indanone, 98%bmse000514
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