AB51218
279261-89-1 | 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51218
ChemicalName
3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
CasNumber
279261-89-1
MolecularFormula
C9H11BO4
MolecularWeight
193.9922
MdlNumber
MFCD02681910
Smiles
OB(c1ccc2c(c1)OCCCO2)O
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AB51218
ChemicalName: 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
CasNumber: 279261-89-1
MolecularFormula: C9H11BO4
MolecularWeight: 193.9922
MdlNumber: MFCD02681910
Smiles: OB(c1ccc2c(c1)OCCCO2)O
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB51218
ChemicalName:
3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid
CasNumber:
279261-89-1
MolecularFormula:
C9H11BO4
MolecularWeight:
193.9922
MdlNumber:
MFCD02681910
Smiles:
OB(c1ccc2c(c1)OCCCO2)O
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CC(=O)NC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CC(=O)NC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)c(CC(=O)O)c([nH]2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)c(CC(=O)O)c([nH]2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB51221
ChemicalName: 1,4-Dioxan-2-ylmethanol
CasNumber: 29908-11-0
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD08669844
Smiles: OCC1COCCO1
Complexity: 64.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB51221
ChemicalName:
1,4-Dioxan-2-ylmethanol
CasNumber:
29908-11-0
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD08669844
Smiles:
OCC1COCCO1
Complexity:
64.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1