| CAS Number | 3265-74-5 |
| Catalog Number | AG00CPOL(AGN-PC-0ND8GL) |
| Chemical Name | 3-BENZOFURANCARBOXYLIC ACID, 2-METHYL- |
| IUPAC Name | 2-methyl-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C10H8O3/c1-6-9(10(11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3,(H,11,12) |
| InChI Key | QNMGYGHSTHUNJI-UHFFFAOYSA-N |
| MDL Number | MFCD01555114 |
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.1687 |
| SMILES | O=C(C1=C(C)OC2=CC=CC=C12)O |
| Synonyms | 3265-74-5,
2-methylbenzofuran-3-carboxylic Acid,
2-methyl-3-benzofurancarboxylic acid,
3-Benzofurancarboxylic acid, 2-methyl-,
2-methyl-1-benzofuran-3-carboxylic acid,
Oprea1_600582,
SCHEMBL1398779,
2-Methyl-benzofuran-3-carbonsaure,
ZINC75566005,
AKOS006277615,
NE24629,
CID10942979,
3-BENZOFURANCARBOXYLICACID,2-METHYL-,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.171g/mol |
| Monoisotopic Mass | 176.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number