AG06123
3722-52-9 | 3-Methoxy-9H-xanthen-9-one
Manufacturer: A2B Chem
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CatalogNumber
AG06123
ChemicalName
3-Methoxy-9H-xanthen-9-one
CasNumber
3722-52-9
MolecularFormula
C14H10O3
MolecularWeight
226.2274
MdlNumber
MFCD00604749
Smiles
COc1ccc2c(c1)oc1c(c2=O)cccc1
NscNumber
37335
Complexity
302
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
3.6
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CatalogNumber: AG06123
ChemicalName: 3-Methoxy-9H-xanthen-9-one
CasNumber: 3722-52-9
MolecularFormula: C14H10O3
MolecularWeight: 226.2274
MdlNumber: MFCD00604749
Smiles: COc1ccc2c(c1)oc1c(c2=O)cccc1
NscNumber: 37335
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AG06123
ChemicalName:
3-Methoxy-9H-xanthen-9-one
CasNumber:
3722-52-9
MolecularFormula:
C14H10O3
MolecularWeight:
226.2274
MdlNumber:
MFCD00604749
Smiles:
COc1ccc2c(c1)oc1c(c2=O)cccc1
NscNumber:
37335
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.6
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Smiles: C1=CC=C(C=C1)CC(C(=O)O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1=CC=C(C=C1)CC(C(=O)O)N
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Smiles: CCCCCCC(=C)C(=O)OC
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CCCCCCC(=C)C(=O)OC
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RotatableBondCount:
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Smiles: CC(=O)NSNC(=O)C
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HydrogenBondAcceptorCount: __
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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:
CC(=O)NSNC(=O)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__