AA54710
1219-33-6 | 5-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54710
ChemicalName
5-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid
CasNumber
1219-33-6
MolecularFormula
C13H10O5
MolecularWeight
246.2155
MdlNumber
MFCD15143595
Smiles
OC(=O)c1occ(c(=O)c1)OCc1ccccc1
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AA54710
ChemicalName: 5-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid
CasNumber: 1219-33-6
MolecularFormula: C13H10O5
MolecularWeight: 246.2155
MdlNumber: MFCD15143595
Smiles: OC(=O)c1occ(c(=O)c1)OCc1ccccc1
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AA54710
ChemicalName:
5-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid
CasNumber:
1219-33-6
MolecularFormula:
C13H10O5
MolecularWeight:
246.2155
MdlNumber:
MFCD15143595
Smiles:
OC(=O)c1occ(c(=O)c1)OCc1ccccc1
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.5
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Smiles: N#COc1ccc(cc1)c1ccc(cc1)OC#N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#COc1ccc(cc1)c1ccc(cc1)OC#N
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1nc2cc(C)c(cc2[nH]c1=O)C
Complexity: __
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Smiles:
CCOC(=O)c1nc2cc(C)c(cc2[nH]c1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C(Nc1cccnc1C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1cccnc1C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__