AB51069
42972-13-4 | 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51069
ChemicalName
1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
CasNumber
42972-13-4
MolecularFormula
C9H6N2O4
MolecularWeight
206.1549
MdlNumber
MFCD06371360
Smiles
OC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O
NscNumber
211205
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AB51069
ChemicalName: 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
CasNumber: 42972-13-4
MolecularFormula: C9H6N2O4
MolecularWeight: 206.1549
MdlNumber: MFCD06371360
Smiles: OC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O
NscNumber: 211205
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AB51069
ChemicalName:
1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
CasNumber:
42972-13-4
MolecularFormula:
C9H6N2O4
MolecularWeight:
206.1549
MdlNumber:
MFCD06371360
Smiles:
OC(=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O
NscNumber:
211205
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COCCI
NscNumber: __
Complexity: 16.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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MolecularFormula:
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Smiles:
COCCI
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Complexity:
16.4
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: CCOC(=O)c1cccc(c1)F
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)c1cccc(c1)F
NscNumber:
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Complexity:
159
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCc1ccc(cc1)C1CCCCC1
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HydrogenBondAcceptorCount: __
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CatalogNumber:
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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:
CCc1ccc(cc1)C1CCCCC1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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