AD22236
500-05-0 | Coumalic acid
Manufacturer: A2B Chem
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CatalogNumber
AD22236
ChemicalName
Coumalic acid
CasNumber
500-05-0
MolecularFormula
C6H4O4
MolecularWeight
140.0936
MdlNumber
MFCD00006644
Smiles
O=c1ccc(co1)C(=O)O
NscNumber
22978
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AD22236
ChemicalName: Coumalic acid
CasNumber: 500-05-0
MolecularFormula: C6H4O4
MolecularWeight: 140.0936
MdlNumber: MFCD00006644
Smiles: O=c1ccc(co1)C(=O)O
NscNumber: 22978
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AD22236
ChemicalName:
Coumalic acid
CasNumber:
500-05-0
MolecularFormula:
C6H4O4
MolecularWeight:
140.0936
MdlNumber:
MFCD00006644
Smiles:
O=c1ccc(co1)C(=O)O
NscNumber:
22978
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
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:
OCc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nsnc1N
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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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:
CCOC(=O)c1nsnc1N
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)cc(c1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)cc(c1)[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__