| CAS Number | 367519-88-8 |
| Catalog Number | AG00CJA2(AGN-PC-00PCVF) |
| Chemical Name | 3-FORMYL-5-METHOXY-BENZOIC ACID |
| IUPAC Name | 3-formyl-5-methoxybenzoic acid |
| InChI | InChI=1S/C9H8O4/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | DYXJFLKQBAPWDM-UHFFFAOYSA-N |
| MDL Number | MFCD11042979 |
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.1574 |
| SMILES | COC1=CC(C(O)=O)=CC(C=O)=C1 |
| Synonyms | 3-Formyl-5-methoxybenzoic acid,
367519-88-8,
Benzoic acid, 3-formyl-5-methoxy-,
ACMC-209ioj,
SCHEMBL15021162,
CTK8B1550,
DTXSID30573090,
4674AB,
ANW-28481,
MFCD11042979,
ZINC85210095,
AKOS006282488,
AB62855,
3-FORMYL-5-METHOXY-BENZOIC ACID,
AJ-126420,
TC-117226,
FT-0740534,
K-8183,
3-Formyl-5-methoxybenzoicacid,
C9H8O4,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.159g/mol |
| Monoisotopic Mass | 180.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number