AH13537
66737-88-0 | 3-tert-Butyl-4-hydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH13537
ChemicalName
3-tert-Butyl-4-hydroxybenzoic acid
CasNumber
66737-88-0
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD00016535
Smiles
OC(=O)c1ccc(c(c1)C(C)(C)C)O
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AH13537
ChemicalName: 3-tert-Butyl-4-hydroxybenzoic acid
CasNumber: 66737-88-0
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD00016535
Smiles: OC(=O)c1ccc(c(c1)C(C)(C)C)O
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AH13537
ChemicalName:
3-tert-Butyl-4-hydroxybenzoic acid
CasNumber:
66737-88-0
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD00016535
Smiles:
OC(=O)c1ccc(c(c1)C(C)(C)C)O
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccccc1C)Nc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1C)Nc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH13541
ChemicalName: 4-Amino-3,5-dinitrobenzoic acid
CasNumber: 7221-27-4
MolecularFormula: C7H5N3O6
MolecularWeight: 227.1311
MdlNumber: MFCD00017010
Smiles: [O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])C(=O)O
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AH13541
ChemicalName:
4-Amino-3,5-dinitrobenzoic acid
CasNumber:
7221-27-4
MolecularFormula:
C7H5N3O6
MolecularWeight:
227.1311
MdlNumber:
MFCD00017010
Smiles:
[O-][N+](=O)c1cc(cc(c1N)[N+](=O)[O-])C(=O)O
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7