AB63111
776-79-4 | 2-(2-Carboxyethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63111
ChemicalName
2-(2-Carboxyethyl)benzoic acid
CasNumber
776-79-4
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD00016550
Smiles
OC(=O)CCc1ccccc1C(=O)O
NscNumber
16637
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AB63111
ChemicalName: 2-(2-Carboxyethyl)benzoic acid
CasNumber: 776-79-4
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD00016550
Smiles: OC(=O)CCc1ccccc1C(=O)O
NscNumber: 16637
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AB63111
ChemicalName:
2-(2-Carboxyethyl)benzoic acid
CasNumber:
776-79-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD00016550
Smiles:
OC(=O)CCc1ccccc1C(=O)O
NscNumber:
16637
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1Cl)CCC(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cccc(c1Cl)CCC(=O)O
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Fc1cccc(c1c1noc(c1C(=O)Cl)C)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1cccc(c1c1noc(c1C(=O)Cl)C)Cl
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccccc1COc1cccc(c1)B(O)O
NscNumber: __
Complexity: 252
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccccc1COc1cccc(c1)B(O)O
NscNumber:
__
Complexity:
252
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__