AG14207
4160-92-3 | 3-Methyl-3-phenylpentanedioic acid
Manufacturer: A2B Chem
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CatalogNumber
AG14207
ChemicalName
3-Methyl-3-phenylpentanedioic acid
CasNumber
4160-92-3
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD00020491
Smiles
OC(=O)CC(c1ccccc1)(CC(=O)O)C
NscNumber
51135
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
1.5
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CatalogNumber: AG14207
ChemicalName: 3-Methyl-3-phenylpentanedioic acid
CasNumber: 4160-92-3
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD00020491
Smiles: OC(=O)CC(c1ccccc1)(CC(=O)O)C
NscNumber: 51135
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 1.5
CatalogNumber:
AG14207
ChemicalName:
3-Methyl-3-phenylpentanedioic acid
CasNumber:
4160-92-3
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD00020491
Smiles:
OC(=O)CC(c1ccccc1)(CC(=O)O)C
NscNumber:
51135
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
1.5
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Smiles: CCCOCCCO
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCOCCCO
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Smiles: CCc1cccc(c1N1C(=O)c2c(C1=O)ccc(c2)C(=O)O)CC
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Smiles:
CCc1cccc(c1N1C(=O)c2c(C1=O)ccc(c2)C(=O)O)CC
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Smiles: Clc1cc(c(cc1Cl)Cl)S(=O)(=O)C
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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:
Clc1cc(c(cc1Cl)Cl)S(=O)(=O)C
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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