AB58491
54132-76-2 | 1-Isocyanato-3,5-dimethoxybenzene
Manufacturer: A2B Chem
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CatalogNumber
AB58491
ChemicalName
1-Isocyanato-3,5-dimethoxybenzene
CasNumber
54132-76-2
MolecularFormula
C9H9NO3
MolecularWeight
179.1727
MdlNumber
MFCD00013862
Smiles
COc1cc(N=C=O)cc(c1)OC
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AB58491
ChemicalName: 1-Isocyanato-3,5-dimethoxybenzene
CasNumber: 54132-76-2
MolecularFormula: C9H9NO3
MolecularWeight: 179.1727
MdlNumber: MFCD00013862
Smiles: COc1cc(N=C=O)cc(c1)OC
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB58491
ChemicalName:
1-Isocyanato-3,5-dimethoxybenzene
CasNumber:
54132-76-2
MolecularFormula:
C9H9NO3
MolecularWeight:
179.1727
MdlNumber:
MFCD00013862
Smiles:
COc1cc(N=C=O)cc(c1)OC
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: O=C=Nc1cccc2c1CCCC2
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
O=C=Nc1cccc2c1CCCC2
Complexity:
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RotatableBondCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(N1CC(CC1=O)C(=O)O)C
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(N1CC(CC1=O)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__