AB00975
178445-80-2 | (E)-3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
Manufacturer: A2B Chem
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CatalogNumber
AB00975
ChemicalName
(E)-3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CasNumber
178445-80-2
MolecularFormula
C17H16O4
MolecularWeight
284.30654000000004
MdlNumber
MFCD06245366
Smiles
COc1cc(/C=C/C(=O)c2cccc(c2)O)ccc1OC
Complexity
366
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.3
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CatalogNumber: AB00975
ChemicalName: (E)-3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CasNumber: 178445-80-2
MolecularFormula: C17H16O4
MolecularWeight: 284.30654000000004
MdlNumber: MFCD06245366
Smiles: COc1cc(/C=C/C(=O)c2cccc(c2)O)ccc1OC
Complexity: 366
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AB00975
ChemicalName:
(E)-3-(3,4-Dimethoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CasNumber:
178445-80-2
MolecularFormula:
C17H16O4
MolecularWeight:
284.30654000000004
MdlNumber:
MFCD06245366
Smiles:
COc1cc(/C=C/C(=O)c2cccc(c2)O)ccc1OC
Complexity:
366
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.3
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Smiles: CCCC[Sn](N=[N+]=[N-])(CCCC)CCCC
Complexity: __
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Smiles:
CCCC[Sn](N=[N+]=[N-])(CCCC)CCCC
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Smiles: NNC(=O)C12CC3CC(C2)CC(C1)C3
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NNC(=O)C12CC3CC(C2)CC(C1)C3
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Smiles: OCc1ccc(c(c1Cl)F)F
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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:
OCc1ccc(c(c1Cl)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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