AH56697
78641-40-4 | 2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH56697
ChemicalName
2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoic acid
CasNumber
78641-40-4
MolecularFormula
C17H16O6
MolecularWeight
316.3053
MdlNumber
MFCD19440758
Smiles
COc1ccc(cc1)COC(=O)C(c1ccc(cc1)O)C(=O)O
Complexity
394
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
2.6
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CatalogNumber: AH56697
ChemicalName: 2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoic acid
CasNumber: 78641-40-4
MolecularFormula: C17H16O6
MolecularWeight: 316.3053
MdlNumber: MFCD19440758
Smiles: COc1ccc(cc1)COC(=O)C(c1ccc(cc1)O)C(=O)O
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.6
CatalogNumber:
AH56697
ChemicalName:
2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoic acid
CasNumber:
78641-40-4
MolecularFormula:
C17H16O6
MolecularWeight:
316.3053
MdlNumber:
MFCD19440758
Smiles:
COc1ccc(cc1)COC(=O)C(c1ccc(cc1)O)C(=O)O
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.6
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Smiles: CC1CN(N)C(=O)N=N1
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CC1CN(N)C(=O)N=N1
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Smiles: NC(C(=O)C(=O)N)CC1CCC1
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Smiles:
NC(C(=O)C(=O)N)CC1CCC1
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Smiles: OC(=O)C1=Cc2n(C1=O)ccc2
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1=Cc2n(C1=O)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__