AB44719
18720-35-9 | 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44719
ChemicalName
4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
CasNumber
18720-35-9
MolecularFormula
C11H16O4
MolecularWeight
212.2423
MdlNumber
MFCD18459359
Smiles
COC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AB44719
ChemicalName: 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
CasNumber: 18720-35-9
MolecularFormula: C11H16O4
MolecularWeight: 212.2423
MdlNumber: MFCD18459359
Smiles: COC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AB44719
ChemicalName:
4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
CasNumber:
18720-35-9
MolecularFormula:
C11H16O4
MolecularWeight:
212.2423
MdlNumber:
MFCD18459359
Smiles:
COC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1nc(SC)ncc1C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1nc(SC)ncc1C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1ccc(cc1)C(=O)O
Complexity: 139
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1ccc(cc1)C(=O)O
Complexity:
139
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AB44722
ChemicalName: 4-(Methylamino)benzonitrile
CasNumber: 4714-62-9
MolecularFormula: C8H8N2
MolecularWeight: 132.1625
MdlNumber: MFCD00016381
Smiles: CNc1ccc(cc1)C#N
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB44722
ChemicalName:
4-(Methylamino)benzonitrile
CasNumber:
4714-62-9
MolecularFormula:
C8H8N2
MolecularWeight:
132.1625
MdlNumber:
MFCD00016381
Smiles:
CNc1ccc(cc1)C#N
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9