AB46602
713-57-5 | 4-(Ethoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB46602
ChemicalName
4-(Ethoxycarbonyl)benzoic acid
CasNumber
713-57-5
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD00496597
Smiles
CCOC(=O)c1ccc(cc1)C(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.4
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CatalogNumber: AB46602
ChemicalName: 4-(Ethoxycarbonyl)benzoic acid
CasNumber: 713-57-5
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD00496597
Smiles: CCOC(=O)c1ccc(cc1)C(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AB46602
ChemicalName:
4-(Ethoxycarbonyl)benzoic acid
CasNumber:
713-57-5
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD00496597
Smiles:
CCOC(=O)c1ccc(cc1)C(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN[C@H](C(=O)NC(=O)[C@@H](N(C([C@@H](CC(=O)N1CCC[C@H]1C([C@H](C(=O)N[C@@H]([C@H](c1ccccc1)O)C)C)OC)OC)[C@H](CC)C)C)C(C)C)C(C)C
Complexity: 1100
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN[C@H](C(=O)NC(=O)[C@@H](N(C([C@@H](CC(=O)N1CCC[C@H]1C([C@H](C(=O)N[C@@H]([C@H](c1ccccc1)O)C)C)OC)OC)[C@H](CC)C)C)C(C)C)C(C)C
Complexity:
1100
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN[C@H](C(=O)N[C@H](C(=O)N(C([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OC)OC)[C@H](CC)C)C)C(C)C)C(C)C
Complexity: 1160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN[C@H](C(=O)N[C@H](C(=O)N(C([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OC)OC)[C@H](CC)C)C)C(C)C)C(C)C
Complexity:
1160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AB46605
ChemicalName: Montmorillonite
CasNumber: 1318-93-0
MolecularFormula: Al2H2O12Si4
MolecularWeight: 360.3138
MdlNumber: MFCD00132796
Smiles: O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[O-2].[O-2].[O-2].[Al+3].[Al+3].O
Complexity: 18.3
Covalently-bondedUnitCount: 10
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB46605
ChemicalName:
Montmorillonite
CasNumber:
1318-93-0
MolecularFormula:
Al2H2O12Si4
MolecularWeight:
360.3138
MdlNumber:
MFCD00132796
Smiles:
O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O.[O-2].[O-2].[O-2].[Al+3].[Al+3].O
Complexity:
18.3
Covalently-bondedUnitCount:
10
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
__