AB54767
3663-82-9 | 2-Hydroxymethyl-1,4-benzodioxane
Manufacturer: A2B Chem
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CatalogNumber
AB54767
ChemicalName
2-Hydroxymethyl-1,4-benzodioxane
CasNumber
3663-82-9
MolecularFormula
C9H10O3
MolecularWeight
166.1739
MdlNumber
MFCD00006822
Smiles
OCC1COc2c(O1)cccc2
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AB54767
ChemicalName: 2-Hydroxymethyl-1,4-benzodioxane
CasNumber: 3663-82-9
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00006822
Smiles: OCC1COc2c(O1)cccc2
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AB54767
ChemicalName:
2-Hydroxymethyl-1,4-benzodioxane
CasNumber:
3663-82-9
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00006822
Smiles:
OCC1COc2c(O1)cccc2
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)c(cc1CO)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)c(cc1CO)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB54769
ChemicalName: 2,4,5-Trimethylphenylboronic acid
CasNumber: 352534-80-6
MolecularFormula: C9H13BO2
MolecularWeight: 164.0093
MdlNumber: MFCD03427049
Smiles: OB(c1cc(C)c(cc1C)C)O
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB54769
ChemicalName:
2,4,5-Trimethylphenylboronic acid
CasNumber:
352534-80-6
MolecularFormula:
C9H13BO2
MolecularWeight:
164.0093
MdlNumber:
MFCD03427049
Smiles:
OB(c1cc(C)c(cc1C)C)O
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB54770
ChemicalName: 2,4,6-Trifluoro-3-hydroxyphenylboronic acid
CasNumber: 1072951-37-1
MolecularFormula: C6H4BF3O3
MolecularWeight: 191.9004
MdlNumber: MFCD11053885
Smiles: OB(c1c(F)cc(c(c1F)O)F)O
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB54770
ChemicalName:
2,4,6-Trifluoro-3-hydroxyphenylboronic acid
CasNumber:
1072951-37-1
MolecularFormula:
C6H4BF3O3
MolecularWeight:
191.9004
MdlNumber:
MFCD11053885
Smiles:
OB(c1c(F)cc(c(c1F)O)F)O
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__