AB57525
605-70-9 | 1,4-Naphthalenedicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB57525
ChemicalName
1,4-Naphthalenedicarboxylic acid
CasNumber
605-70-9
MolecularFormula
C12H8O4
MolecularWeight
216.18952000000004
MdlNumber
MFCD00014312
Smiles
OC(=O)c1ccc(c2c1cccc2)C(=O)O
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB57525
ChemicalName: 1,4-Naphthalenedicarboxylic acid
CasNumber: 605-70-9
MolecularFormula: C12H8O4
MolecularWeight: 216.18952000000004
MdlNumber: MFCD00014312
Smiles: OC(=O)c1ccc(c2c1cccc2)C(=O)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB57525
ChemicalName:
1,4-Naphthalenedicarboxylic acid
CasNumber:
605-70-9
MolecularFormula:
C12H8O4
MolecularWeight:
216.18952000000004
MdlNumber:
MFCD00014312
Smiles:
OC(=O)c1ccc(c2c1cccc2)C(=O)O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCC=CCC=C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCCC=CCC=C
Complexity:
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__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(C#C)C#C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(C#C)C#C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: O=C=Nc1ccc(cc1)N=C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=Nc1ccc(cc1)N=C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__