AB71020
97415-09-3 | D-(-)-Mandelic acid benzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB71020
ChemicalName
D-(-)-Mandelic acid benzyl ester
CasNumber
97415-09-3
MolecularFormula
C15H14O3
MolecularWeight
242.2699
MdlNumber
MFCD00674031
Smiles
O[C@H](c1ccccc1)C(=O)OCc1ccccc1
Complexity
253
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AB71020
ChemicalName: D-(-)-Mandelic acid benzyl ester
CasNumber: 97415-09-3
MolecularFormula: C15H14O3
MolecularWeight: 242.2699
MdlNumber: MFCD00674031
Smiles: O[C@H](c1ccccc1)C(=O)OCc1ccccc1
Complexity: 253
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AB71020
ChemicalName:
D-(-)-Mandelic acid benzyl ester
CasNumber:
97415-09-3
MolecularFormula:
C15H14O3
MolecularWeight:
242.2699
MdlNumber:
MFCD00674031
Smiles:
O[C@H](c1ccccc1)C(=O)OCc1ccccc1
Complexity:
253
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COP(=O)(CC(=O)OCc1ccccc1)OC
Complexity: 278
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COP(=O)(CC(=O)OCc1ccccc1)OC
Complexity:
278
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: AB71022
ChemicalName: Benzyl-DL-mandelate
CasNumber: 890-98-2
MolecularFormula: C15H14O3
MolecularWeight: 242.2699
MdlNumber: MFCD00021856
Smiles: OC(c1ccccc1)C(=O)OCc1ccccc1
Complexity: 253
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AB71022
ChemicalName:
Benzyl-DL-mandelate
CasNumber:
890-98-2
MolecularFormula:
C15H14O3
MolecularWeight:
242.2699
MdlNumber:
MFCD00021856
Smiles:
OC(c1ccccc1)C(=O)OCc1ccccc1
Complexity:
253
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__