B-(5-Methoxy-2-(methoxymethoxy)-4-(1-methylethoxy)phenyl)boronic acid

HCID 11601459

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Basic information

CAS: 875654-34-5
Standard SMILES: COCOc1cc(OC(C)C)c(OC)cc1B(O)O
InChIKey: FOMSTONHGHCDPF-UHFFFAOYSA-N
Molecular formula: C12H19BO6
Average molar mass: 270.09 g/mol
Monoisotopic mass: 270.1274685

Names & identifiers

Preferred name: B-(5-Methoxy-2-(methoxymethoxy)-4-(1-methylethoxy)phenyl)boronic acid
IUPAC: [5-methoxy-2-(methoxymethoxy)-4-propan-2-yloxyphenyl]boronic acid

Names & synonyms

875654-34-5B-[5-Methoxy-2-(methoxymethoxy)-4-(1-methylethoxy)phenyl]boronic acidB-(5-Methoxy-2-(methoxymethoxy)-4-(1-methylethoxy)phenyl)boronic acidRefChem:320575(4-Isopropoxy-5-methoxy-2-(methoxymethoxy)phenyl)boronic acidDTXSID701157572{5-Methoxy-2-(methoxymethoxy)-4-[(propan-2-yl)oxy]phenyl}boronic acid

Database identifiers

CAS: 875654-34-5
PubChem CID: 11601459
DTXSID: DTXSID701157572
Nikkaji: J2.275.771G

Properties

Computed structural properties

Topological polar surface area: 77.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 250

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