AB60512
6051-66-7 | 2,5-Dimethylterephthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB60512
ChemicalName
2,5-Dimethylterephthalic acid
CasNumber
6051-66-7
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD00020292
Smiles
OC(=O)c1cc(C)c(cc1C)C(=O)O
NscNumber
174018
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB60512
ChemicalName: 2,5-Dimethylterephthalic acid
CasNumber: 6051-66-7
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD00020292
Smiles: OC(=O)c1cc(C)c(cc1C)C(=O)O
NscNumber: 174018
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB60512
ChemicalName:
2,5-Dimethylterephthalic acid
CasNumber:
6051-66-7
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD00020292
Smiles:
OC(=O)c1cc(C)c(cc1C)C(=O)O
NscNumber:
174018
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: CCCCOc1ccc(c(c1)[N+](=O)[O-])OCCCC
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCOc1ccc(c(c1)[N+](=O)[O-])OCCCC
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Complexity:
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__
HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
COc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-]
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__