AG34712
5156-00-3 | 2-Methoxyterephthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AG34712
ChemicalName
2-Methoxyterephthalic acid
CasNumber
5156-00-3
MolecularFormula
C9H8O5
MolecularWeight
196.1568
MdlNumber
MFCD20638219
Smiles
COc1cc(ccc1C(=O)O)C(=O)O
NscNumber
137168
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AG34712
ChemicalName: 2-Methoxyterephthalic acid
CasNumber: 5156-00-3
MolecularFormula: C9H8O5
MolecularWeight: 196.1568
MdlNumber: MFCD20638219
Smiles: COc1cc(ccc1C(=O)O)C(=O)O
NscNumber: 137168
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AG34712
ChemicalName:
2-Methoxyterephthalic acid
CasNumber:
5156-00-3
MolecularFormula:
C9H8O5
MolecularWeight:
196.1568
MdlNumber:
MFCD20638219
Smiles:
COc1cc(ccc1C(=O)O)C(=O)O
NscNumber:
137168
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Brc1cnc(c(c1)C(=O)O)N.Br
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:
Brc1cnc(c(c1)C(=O)O)N.Br
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cccc(c1[N+](=O)[O-])OC
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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:
__
MdlNumber:
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Smiles:
OCc1cccc(c1[N+](=O)[O-])OC
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(C)c(cc1N)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(C)c(cc1N)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__