AA89012
166599-84-4 | Benzofuran-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA89012
ChemicalName
Benzofuran-4-carboxylic acid
CasNumber
166599-84-4
MolecularFormula
C9H6O3
MolecularWeight
162.1421
MdlNumber
MFCD10000600
Smiles
OC(=O)c1cccc2c1cco2
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.9
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CatalogNumber: AA89012
ChemicalName: Benzofuran-4-carboxylic acid
CasNumber: 166599-84-4
MolecularFormula: C9H6O3
MolecularWeight: 162.1421
MdlNumber: MFCD10000600
Smiles: OC(=O)c1cccc2c1cco2
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AA89012
ChemicalName:
Benzofuran-4-carboxylic acid
CasNumber:
166599-84-4
MolecularFormula:
C9H6O3
MolecularWeight:
162.1421
MdlNumber:
MFCD10000600
Smiles:
OC(=O)c1cccc2c1cco2
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN(c1cccc(n1)C)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN(c1cccc(n1)C)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA89015
ChemicalName: 2-N-Boc-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
CasNumber: 166591-85-1
MolecularFormula: C15H19NO4
MolecularWeight: 277.3157
MdlNumber: MFCD08274995
Smiles: O=C(N1CCc2c(C1C(=O)O)cccc2)OC(C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA89015
ChemicalName:
2-N-Boc-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
CasNumber:
166591-85-1
MolecularFormula:
C15H19NO4
MolecularWeight:
277.3157
MdlNumber:
MFCD08274995
Smiles:
O=C(N1CCc2c(C1C(=O)O)cccc2)OC(C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCc1scc(c1C=O)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCc1scc(c1C=O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__