AG71445
58106-26-6 | 4-Methoxy-2,5-dimethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG71445
ChemicalName
4-Methoxy-2,5-dimethylbenzoic acid
CasNumber
58106-26-6
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD01194285
Smiles
COc1cc(C)c(cc1C)C(=O)O
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AG71445
ChemicalName: 4-Methoxy-2,5-dimethylbenzoic acid
CasNumber: 58106-26-6
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD01194285
Smiles: COc1cc(C)c(cc1C)C(=O)O
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AG71445
ChemicalName:
4-Methoxy-2,5-dimethylbenzoic acid
CasNumber:
58106-26-6
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD01194285
Smiles:
COc1cc(C)c(cc1C)C(=O)O
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: S=C=NCCCC(=O)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
S=C=NCCCC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: c1cc(cc(c1)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Complexity: __
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Smiles:
c1cc(cc(c1)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Nc1sc2c(n1)c(C)c(cc2)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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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:
Nc1sc2c(n1)c(C)c(cc2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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