AB71002
19444-23-6 | Benzyl 2-hydroxy-2-methylpropionate
Manufacturer: A2B Chem
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CatalogNumber
AB71002
ChemicalName
Benzyl 2-hydroxy-2-methylpropionate
CasNumber
19444-23-6
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD21641337
Smiles
O=C(C(O)(C)C)OCc1ccccc1
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AB71002
ChemicalName: Benzyl 2-hydroxy-2-methylpropionate
CasNumber: 19444-23-6
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD21641337
Smiles: O=C(C(O)(C)C)OCc1ccccc1
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB71002
ChemicalName:
Benzyl 2-hydroxy-2-methylpropionate
CasNumber:
19444-23-6
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD21641337
Smiles:
O=C(C(O)(C)C)OCc1ccccc1
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=C)C(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=C)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB71004
ChemicalName: Benzyl 3-bromopropyl ether
CasNumber: 54314-84-0
MolecularFormula: C10H13BrO
MolecularWeight: 229.1136
MdlNumber: MFCD00134570
Smiles: BrCCCOCc1ccccc1
Complexity: 100
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AB71004
ChemicalName:
Benzyl 3-bromopropyl ether
CasNumber:
54314-84-0
MolecularFormula:
C10H13BrO
MolecularWeight:
229.1136
MdlNumber:
MFCD00134570
Smiles:
BrCCCOCc1ccccc1
Complexity:
100
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC=CC1)OCc1ccccc1
Complexity: 236
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC=CC1)OCc1ccccc1
Complexity:
236
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9