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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A2B Chem

AB60512

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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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AB60513

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CatalogNumber:
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ChemicalName:
__

CasNumber:
__

MolecularFormula:
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MolecularWeight:
__

MdlNumber:
__

Smiles:
CCCCOc1ccc(c(c1)[N+](=O)[O-])OCCCC

NscNumber:
__

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
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RotatableBondCount:
__

Xlogp3:
__

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CatalogNumber:
__

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CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
COc1cc(ccc1[N+](=O)[O-])[N+](=O)[O-]

NscNumber:
__

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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AB60515

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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:
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Xlogp3:
__