AC65779
67858-30-4 | 2-(3,4,5-Trimethoxyphenyl)chromen-4-one
Manufacturer: A2B Chem
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CatalogNumber
AC65779
ChemicalName
2-(3,4,5-Trimethoxyphenyl)chromen-4-one
CasNumber
67858-30-4
MolecularFormula
C18H16O5
MolecularWeight
312.3166
MdlNumber
MFCD00024066
Smiles
COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)cccc2
Complexity
446
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AC65779
ChemicalName: 2-(3,4,5-Trimethoxyphenyl)chromen-4-one
CasNumber: 67858-30-4
MolecularFormula: C18H16O5
MolecularWeight: 312.3166
MdlNumber: MFCD00024066
Smiles: COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)cccc2
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AC65779
ChemicalName:
2-(3,4,5-Trimethoxyphenyl)chromen-4-one
CasNumber:
67858-30-4
MolecularFormula:
C18H16O5
MolecularWeight:
312.3166
MdlNumber:
MFCD00024066
Smiles:
COc1cc(cc(c1OC)OC)c1cc(=O)c2c(o1)cccc2
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.5
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Smiles: CCCn1nnc(n1)NC(=O)c1cc(C)cc(c1)C
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCCn1nnc(n1)NC(=O)c1cc(C)cc(c1)C
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: ClC(=O)CCCC(=O)OCc1ccccc1
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Smiles:
ClC(=O)CCCC(=O)OCc1ccccc1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: [O-]C(=O)c1cc(F)c(c(c1F)F)F.[Na+]
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]C(=O)c1cc(F)c(c(c1F)F)F.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__