| CAS Number | 849758-14-1 |
| Catalog Number | AG00G9VO(AGN-PC-0UW4XC) |
| Chemical Name | 2-METHOXY-4-(METHOXYCARBONYL)PHENYLBORONIC ACID |
| IUPAC Name | (2-methoxy-4-methoxycarbonylphenyl)boronic acid |
| InChI | InChI=1S/C9H11BO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5,12-13H,1-2H3 |
| InChI Key | SHLWOAANDCXUKI-UHFFFAOYSA-N |
| MDL Number | MFCD13190192 |
| Molecular Formula | C9H11BO5 |
| Molecular Weight | 209.9916 |
| SMILES | COC(=O)c1ccc(c(c1)OC)B(O)O |
| Synonyms | 849758-14-1,
2-METHOXY-4-(METHOXYCARBONYL)PHENYLBORONIC ACID,
(2-methoxy-4-(methoxycarbonyl)phenyl)boronic acid,
(2-methoxy-4-methoxycarbonylphenyl)boronic acid,
4-(methoxycarbonyl)-2-methoxyphenylboronic acid,
[2-methoxy-4-(methoxycarbonyl)phenyl]boronic acid,
SCHEMBL12683784,
AKOS027322960,
ZINC169994792,
AB69942,
BC002022,
DA-02364,
SC-20577,
FT-0741797,
Z0879,
Q-7984,
3-Methoxy-4-(dihydroxyboryl)benzoic acid methyl ester,
BENZOIC ACID, 4-BORONO-3-METHOXY-, 1-METHYL ESTER,
C9H11BO5,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.069954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.99g/mol |
| Monoisotopic Mass | 210.069954g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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