AB78343
2528-16-7 | Phthalic acid monobenzyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB78343
ChemicalName
Phthalic acid monobenzyl ester
CasNumber
2528-16-7
MolecularFormula
C15H12O4
MolecularWeight
256.2534
MdlNumber
MFCD00020279
Smiles
O=C(c1ccccc1C(=O)O)OCc1ccccc1
NscNumber
402008
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AB78343
ChemicalName: Phthalic acid monobenzyl ester
CasNumber: 2528-16-7
MolecularFormula: C15H12O4
MolecularWeight: 256.2534
MdlNumber: MFCD00020279
Smiles: O=C(c1ccccc1C(=O)O)OCc1ccccc1
NscNumber: 402008
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AB78343
ChemicalName:
Phthalic acid monobenzyl ester
CasNumber:
2528-16-7
MolecularFormula:
C15H12O4
MolecularWeight:
256.2534
MdlNumber:
MFCD00020279
Smiles:
O=C(c1ccccc1C(=O)O)OCc1ccccc1
NscNumber:
402008
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.3
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Smiles: CCCCOC(=O)c1ccccc1C(=O)O.CCCCOC(=O)c1ccccc1C(=O)O.[Cu]
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCOC(=O)c1ccccc1C(=O)O.CCCCOC(=O)c1ccccc1C(=O)O.[Cu]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C1OCc2c1cccc2
NscNumber: __
Complexity: 153
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
O=C1OCc2c1cccc2
NscNumber:
__
Complexity:
153
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC1OC(=O)c2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)CC1OC(=O)c2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__