AI50238
42327-52-6 | 7-methoxy-2,3-dihydro-1-benzopyran-4-one
Manufacturer: A2B Chem
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CatalogNumber
AI50238
ChemicalName
7-methoxy-2,3-dihydro-1-benzopyran-4-one
CasNumber
42327-52-6
MolecularFormula
C10H10O3
MolecularWeight
178.1846
MdlNumber
MFCD00598405
Smiles
COc1ccc2c(c1)OCCC2=O
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AI50238
ChemicalName: 7-methoxy-2,3-dihydro-1-benzopyran-4-one
CasNumber: 42327-52-6
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00598405
Smiles: COc1ccc2c(c1)OCCC2=O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AI50238
ChemicalName:
7-methoxy-2,3-dihydro-1-benzopyran-4-one
CasNumber:
42327-52-6
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00598405
Smiles:
COc1ccc2c(c1)OCCC2=O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.3
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Smiles: NCCCCCl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NCCCCCl
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
Complexity: __
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Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: NCc1cc(C)ccc1Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
NCc1cc(C)ccc1Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__