AB75465
33842-16-9 | Methyl 1,3-benzodioxole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB75465
ChemicalName
Methyl 1,3-benzodioxole-4-carboxylate
CasNumber
33842-16-9
MolecularFormula
C9H8O4
MolecularWeight
180.1574
MdlNumber
MFCD01546796
Smiles
COC(=O)c1cccc2c1OCO2
NscNumber
146459
Complexity
204
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB75465
ChemicalName: Methyl 1,3-benzodioxole-4-carboxylate
CasNumber: 33842-16-9
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD01546796
Smiles: COC(=O)c1cccc2c1OCO2
NscNumber: 146459
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB75465
ChemicalName:
Methyl 1,3-benzodioxole-4-carboxylate
CasNumber:
33842-16-9
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD01546796
Smiles:
COC(=O)c1cccc2c1OCO2
NscNumber:
146459
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AB75466
ChemicalName: 1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber: 171504-98-6
MolecularFormula: C16H28N2O6
MolecularWeight: 344.4033
MdlNumber: MFCD16621219
Smiles: COC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
NscNumber: __
Complexity: 492
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AB75466
ChemicalName:
1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CasNumber:
171504-98-6
MolecularFormula:
C16H28N2O6
MolecularWeight:
344.4033
MdlNumber:
MFCD16621219
Smiles:
COC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
492
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75468
ChemicalName: Methyl 10-bromodecanoate
CasNumber: 26825-94-5
MolecularFormula: C11H21BrO2
MolecularWeight: 265.1872
MdlNumber: MFCD00239436
Smiles: BrCCCCCCCCCC(=O)OC
NscNumber: __
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 10
Xlogp3: 4
CatalogNumber:
AB75468
ChemicalName:
Methyl 10-bromodecanoate
CasNumber:
26825-94-5
MolecularFormula:
C11H21BrO2
MolecularWeight:
265.1872
MdlNumber:
MFCD00239436
Smiles:
BrCCCCCCCCCC(=O)OC
NscNumber:
__
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
10
Xlogp3:
4