2H-1-Benzopyran-2-acetic acid, 6-amino-3,4-dihydro-
Basic information
- CAS
324011-06-5- Standard SMILES
Nc1ccc2c(c1)CCC(CC(=O)O)O2- InChIKey
LVOHUMPUTMYMTG-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-acetic acid, 6-amino-3,4-dihydro-
- IUPAC
- 2-(6-amino-3,4-dihydro-2H-chromen-2-yl)acetic acid
Names & synonyms
324011-06-52H-1-Benzopyran-2-acetic acid, 6-amino-3,4-dihydro-SCHEMBL6350179DTXSID50436451(6-AMINO-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)ACETIC ACID
Database identifiers
- CAS
324011-06-5- PubChem CID
- 10176643
- DTXSID
DTXSID50436451
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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