6-Amino-2,2-dimethyl-benzo[1,3]dioxin-4-one

HCID 11615330CAS 842137-46-6
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Basic information

Standard SMILES
CC1(C)OC(=O)c2cc(N)ccc2O1
InChIKey
MRRAHVVJYAOMSB-UHFFFAOYSA-N
Molecular formula
C10H11NO3
Average molar mass
193.2 g/mol
Monoisotopic mass
193.07389321

Names & identifiers

Preferred name
6-Amino-2,2-dimethyl-benzo[1,3]dioxin-4-one
IUPAC
6-amino-2,2-dimethyl-1,3-benzodioxin-4-one

Names & synonyms

842137-46-66-amino-2,2-dimethyl-benzo[1,3]dioxin-4-one6-Amino-2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-oneSCHEMBL730039DTXSID40469475MRRAHVVJYAOMSB-UHFFFAOYSA-N6-amino-2,2-dimethyl-4H-1,3-benzodioxin-4-one6-amino-2,2-dimethyl-4H-benzo[1,3]dioxin-4-one6-Amino-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one

Database identifiers

CAS
842137-46-6
PubChem CID
11615330
DTXSID
DTXSID40469475

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14

Related reactions

45 records
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Linked notes

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