AB00051
177478-49-8 | Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB00051
ChemicalName
Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CasNumber
177478-49-8
MolecularFormula
C11H13NO2
MolecularWeight
191.2264
MdlNumber
MFCD08692534
Smiles
COC(=O)c1ccc2c(c1)CCCN2
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB00051
ChemicalName: Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CasNumber: 177478-49-8
MolecularFormula: C11H13NO2
MolecularWeight: 191.2264
MdlNumber: MFCD08692534
Smiles: COC(=O)c1ccc2c(c1)CCCN2
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB00051
ChemicalName:
Methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CasNumber:
177478-49-8
MolecularFormula:
C11H13NO2
MolecularWeight:
191.2264
MdlNumber:
MFCD08692534
Smiles:
COC(=O)c1ccc2c(c1)CCCN2
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1nc2c(n1C)cccc2O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1nc2c(n1C)cccc2O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB00053
ChemicalName: 4-Amino-3-methoxybenzonitrile
CasNumber: 177476-76-5
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD13250177
Smiles: COc1cc(C#N)ccc1N
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB00053
ChemicalName:
4-Amino-3-methoxybenzonitrile
CasNumber:
177476-76-5
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD13250177
Smiles:
COc1cc(C#N)ccc1N
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AB00055
ChemicalName: 2,3,4,4A,9,9A-Hexahydro-1h-carbazole
CasNumber: 1775-86-6
MolecularFormula: C12H15N
MolecularWeight: 173.2542
MdlNumber: MFCD00227735
Smiles: C1CCC2C(C1)Nc1c2cccc1
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AB00055
ChemicalName:
2,3,4,4A,9,9A-Hexahydro-1h-carbazole
CasNumber:
1775-86-6
MolecularFormula:
C12H15N
MolecularWeight:
173.2542
MdlNumber:
MFCD00227735
Smiles:
C1CCC2C(C1)Nc1c2cccc1
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
3.2