AB45756
616-02-4 | Citraconic anhydride
Manufacturer: A2B Chem
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CatalogNumber
AB45756
ChemicalName
Citraconic anhydride
CasNumber
616-02-4
MolecularFormula
C5H4O3
MolecularWeight
112.0835
MdlNumber
MFCD00005522
Smiles
O=C1C=C(C(=O)O1)C
NscNumber
6182
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
Xlogp3
0.2
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CatalogNumber: AB45756
ChemicalName: Citraconic anhydride
CasNumber: 616-02-4
MolecularFormula: C5H4O3
MolecularWeight: 112.0835
MdlNumber: MFCD00005522
Smiles: O=C1C=C(C(=O)O1)C
NscNumber: 6182
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
Xlogp3: 0.2
CatalogNumber:
AB45756
ChemicalName:
Citraconic anhydride
CasNumber:
616-02-4
MolecularFormula:
C5H4O3
MolecularWeight:
112.0835
MdlNumber:
MFCD00005522
Smiles:
O=C1C=C(C(=O)O1)C
NscNumber:
6182
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
Xlogp3:
0.2
CatalogNumber: AB45757
ChemicalName: Clarithromycin
CasNumber: 81103-11-9
MolecularFormula: C38H69NO13
MolecularWeight: 747.9533600000002
MdlNumber: MFCD00865140
Smiles: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC
NscNumber: 758704
Complexity: 1190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 52
HydrogenBondAcceptorCount: 14
Xlogp3: 3.2
CatalogNumber:
AB45757
ChemicalName:
Clarithromycin
CasNumber:
81103-11-9
MolecularFormula:
C38H69NO13
MolecularWeight:
747.9533600000002
MdlNumber:
MFCD00865140
Smiles:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)C)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)OC
NscNumber:
758704
Complexity:
1190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
52
HydrogenBondAcceptorCount:
14
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1
NscNumber: __
Complexity: 335
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1
NscNumber:
__
Complexity:
335
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)[O-].CCCCCCC[N+](CCCCc1ccc(cc1)Cl)(CC)CC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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:
Cc1ccc(cc1)S(=O)(=O)[O-].CCCCCCC[N+](CCCCc1ccc(cc1)Cl)(CC)CC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__