AF70528
326-56-7 | Methyl 1,3-benzodioxole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF70528
ChemicalName
Methyl 1,3-benzodioxole-5-carboxylate
CasNumber
326-56-7
MolecularFormula
C9H8O4
MolecularWeight
180.1574
MdlNumber
MFCD00030273
Smiles
COC(=O)c1ccc2c(c1)OCO2
NscNumber
21790
Complexity
204
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AF70528
ChemicalName: Methyl 1,3-benzodioxole-5-carboxylate
CasNumber: 326-56-7
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD00030273
Smiles: COC(=O)c1ccc2c(c1)OCO2
NscNumber: 21790
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AF70528
ChemicalName:
Methyl 1,3-benzodioxole-5-carboxylate
CasNumber:
326-56-7
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD00030273
Smiles:
COC(=O)c1ccc2c(c1)OCO2
NscNumber:
21790
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.4
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Smiles: OC(=O)C(=O)c1cccnc1
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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__
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Smiles:
OC(=O)C(=O)c1cccnc1
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__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)C1CCN(CC1)c1ccc(cc1)C#N
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Smiles:
CCOC(=O)C1CCN(CC1)c1ccc(cc1)C#N
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__
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Smiles: COC(=O)c1cc2c(s1)cc(cc2)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc2c(s1)cc(cc2)Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__