AG24210
496-41-3 | Benzofuran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG24210
ChemicalName
Benzofuran-2-carboxylic acid
CasNumber
496-41-3
MolecularFormula
C9H6O3
MolecularWeight
162.1421
MdlNumber
MFCD00005848
Smiles
OC(=O)c1cc2c(o1)cccc2
NscNumber
6165
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AG24210
ChemicalName: Benzofuran-2-carboxylic acid
CasNumber: 496-41-3
MolecularFormula: C9H6O3
MolecularWeight: 162.1421
MdlNumber: MFCD00005848
Smiles: OC(=O)c1cc2c(o1)cccc2
NscNumber: 6165
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AG24210
ChemicalName:
Benzofuran-2-carboxylic acid
CasNumber:
496-41-3
MolecularFormula:
C9H6O3
MolecularWeight:
162.1421
MdlNumber:
MFCD00005848
Smiles:
OC(=O)c1cc2c(o1)cccc2
NscNumber:
6165
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CCC(=C)C(=CC=C2CCC[C@]3([C@H]2CC[C@@H]3C(CC[C@H](C(C)C)C)C)C)C1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CCC(=C)C(=CC=C2CCC[C@]3([C@H]2CC[C@@H]3C(CC[C@H](C(C)C)C)C)C)C1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCCC(N)C)C
NscNumber: __
Complexity: 59.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCCC(N)C)C
NscNumber:
__
Complexity:
59.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCC#N
NscNumber: __
Complexity: 51.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCC#N
NscNumber:
__
Complexity:
51.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2