| CAS Number | 120465-56-7 |
| Catalog Number | AG00HFHB(AGN-PC-0NCAMI) |
| Chemical Name | Benzoic acid, 4-(dimethoxymethyl)- |
| IUPAC Name | 4-(dimethoxymethyl)benzoic acid |
| InChI | InChI=1S/C10H12O4/c1-13-10(14-2)8-5-3-7(4-6-8)9(11)12/h3-6,10H,1-2H3,(H,11,12) |
| InChI Key | ONEJCELGMOSPNT-UHFFFAOYSA-N |
| MDL Number | MFCD11554157 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | O=C(O)C1=CC=C(C(OC)OC)C=C1 |
| Synonyms | 4-(dimethoxymethyl)benzoic Acid,
120465-56-7,
SCHEMBL3876089,
ONEJCELGMOSPNT-UHFFFAOYSA-N,
4-carboxybenzaldehyde dimethylacetal,
Benzoic acid, 4-(dimethoxymethyl)-,
AKOS006315675,
CID10888839,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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