AB57231
5768-39-8 | 1,3-Benzodioxole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB57231
ChemicalName
1,3-Benzodioxole-4-carboxylic acid
CasNumber
5768-39-8
MolecularFormula
C8H6O4
MolecularWeight
166.1308
MdlNumber
MFCD01076411
Smiles
OC(=O)c1cccc2c1OCO2
NscNumber
201536
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB57231
ChemicalName: 1,3-Benzodioxole-4-carboxylic acid
CasNumber: 5768-39-8
MolecularFormula: C8H6O4
MolecularWeight: 166.1308
MdlNumber: MFCD01076411
Smiles: OC(=O)c1cccc2c1OCO2
NscNumber: 201536
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB57231
ChemicalName:
1,3-Benzodioxole-4-carboxylic acid
CasNumber:
5768-39-8
MolecularFormula:
C8H6O4
MolecularWeight:
166.1308
MdlNumber:
MFCD01076411
Smiles:
OC(=O)c1cccc2c1OCO2
NscNumber:
201536
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc2c(c1)[s+]cs2.F[B-](F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc2c(c1)[s+]cs2.F[B-](F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1nc2c(s1)cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1nc2c(s1)cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB57234
ChemicalName: 1,3-benzoxazole-6-carboxylic acid
CasNumber: 154235-77-5
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD09954949
Smiles: OC(=O)c1ccc2c(c1)ocn2
NscNumber: __
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB57234
ChemicalName:
1,3-benzoxazole-6-carboxylic acid
CasNumber:
154235-77-5
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD09954949
Smiles:
OC(=O)c1ccc2c(c1)ocn2
NscNumber:
__
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1