Basic information
- CAS
83168-63-2- Standard SMILES
CC1(C)OC=C(N)C(O)=CO1- InChIKey
IRIRHXXUSZTSTF-UHFFFAOYSA-N- Molecular formula
- C7H11NO3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.07389321
Names & identifiers
- Preferred name
- 6-Amino-2,2-dimethyl-1,3-dioxepin-5-ol
- IUPAC
- 6-amino-2,2-dimethyl-1,3-dioxepin-5-ol
- English name
- 6-amino-2,2-dimethyl-1,3-dioxepin-5-ol
- Molecular formula
- C7H11NO3
- Molecular weight
- 157.16714
Names & synonyms
6-Amino-2,2-dimethyl-1,3-dioxepin-5-ol83168-63-2EINECS 280-204-6RefChem:104170280-204-6SCHEMBL7530632IRIRHXXUSZTSTF-UHFFFAOYSA-NDTXSID201003176NS000599246-Amino-2,2-dimethyl-2H-1,3-dioxepin-5-ol6-Amino-2,2-dimethyl-1,3-dioxepin1,3-Dioxepin-5-ol,6-amino-2,2-dimethyl-
Database identifiers
- CAS
83168-63-2- PubChem CID
- 11970710
- DTXSID
DTXSID201003176- EC Number
- 280-204-6
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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