492-37-5
Product Name:
2-PHENYLPROPIONIC ACID
Formula:
C9H10O2
Synonyms:
(±)-2-Phenylpropionic acid;(±)-Hydratropic acid
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Kovats Retention Index | 1300 1300 |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
Molecular Weight | 150.17 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 150.068079557 g/mol |
Monoisotopic Mass | 150.068079557 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 137 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Hydratropic acid is a 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. It has a role as a human xenobiotic metabolite. It is functionally related to a phenylacetic acid.