| CAS Number | 103262-83-5 |
| Catalog Number | AG00901C |
| Chemical Name | (3-hydroxy-4-methylphenyl)acetic acid |
| IUPAC Name | 2-(3-hydroxy-4-methylphenyl)acetic acid |
| InChI | InChI=1S/C9H10O3/c1-6-2-3-7(4-8(6)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12) |
| InChI Key | JVWHEFWNYRUQMG-UHFFFAOYSA-N |
| MDL Number | MFCD05863285 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | O=C(O)CC1=CC=C(C)C(O)=C1 |
| Synonyms | 2-(3-hydroxy-4-methylphenyl)acetic acid,
(3-hydroxy-4-methylphenyl)acetic acid,
103262-83-5,
AC1LGF4U,
SCHEMBL4066457,
CTK7J2272,
ZINC336548,
SBB087982,
AKOS006295209,
NE60365,
(3-hydroxy-4-methyl-phenyl)-acetic acid,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.176g/mol |
| Monoisotopic Mass | 166.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number