Basic information
- CAS
1632468-09-7- Standard SMILES
C=C(OC1C=CC=C(C(=O)O)C1O)C(=O)O- InChIKey
NTGWPRCCOQCMGE-UHFFFAOYSA-N- Molecular formula
- C10H10O6
- Average molar mass
- 226.18 g/mol
- Monoisotopic mass
- 226.04773803
Overview
NTGWPRCCOQCMGE-UHFFFAOYSA-N has been reported in Escherichia coli with data available.
Names & identifiers
- Preferred name
- 5-[(1-Carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
- IUPAC
- 5-(1-carboxyethenoxy)-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Names & synonyms
5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid1632468-09-7DTXSID308650635-[(1-Carboxyethen-1-yl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Database identifiers
- CAS
1632468-09-7- PubChem CID
- 809
- DTXSID
DTXSID30865063
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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