(R)-(Formyloxy)phenylacetic acid
Basic information
- CAS
29169-63-9- Standard SMILES
O=COC(C(=O)O)c1ccccc1- InChIKey
YFRDJVJDAXMXSQ-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.04225873
Names & identifiers
- Preferred name
- (R)-(Formyloxy)phenylacetic acid
- IUPAC
- 2-formyloxy-2-phenylacetic acid
- English name
- (R)-(formyloxy)phenylacetic acid
- Molecular formula
- C9H8O4
- Molecular weight
- 180.16
Names & synonyms
(R)-(Formyloxy)phenylacetic acid2-formyloxy-2-phenylacetic acid29169-63-9(formyloxy)(phenyl)acetic acidMandelic Acid 10EINECS 249-477-9SCHEMBL710572SCHEMBL3036253DTXSID00951765YFRDJVJDAXMXSQ-UHFFFAOYSA-N(R)-α-(Formyloxy)benzeneacetic acid(2R)-(Formyloxy)(phenyl)acetic acid
Show more names
(R)-2-(Formyloxy)-2-phenylacetic AcidBenzeneacetic acid, α-(formyloxy)-, (αR)-
Database identifiers
- CAS
29169-63-9- PubChem CID
- 119863
- DTXSID
DTXSID00951765- EC Number
- 249-477-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 305.9 · 305.9±30.0 °C(Predicted)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 2.41 · 2.41±0.10(Predicted)
Chemistry & industry
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