AG27464
499-51-4 | Chelidamic acid
Manufacturer: A2B Chem
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CatalogNumber
AG27464
ChemicalName
Chelidamic acid
CasNumber
499-51-4
MolecularFormula
C7H5NO5
MolecularWeight
183.1183
MdlNumber
MFCD31536703
Smiles
Oc1cc(nc(c1)C(=O)O)C(=O)O
NscNumber
3983
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.4
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CatalogNumber: AG27464
ChemicalName: Chelidamic acid
CasNumber: 499-51-4
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD31536703
Smiles: Oc1cc(nc(c1)C(=O)O)C(=O)O
NscNumber: 3983
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AG27464
ChemicalName:
Chelidamic acid
CasNumber:
499-51-4
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD31536703
Smiles:
Oc1cc(nc(c1)C(=O)O)C(=O)O
NscNumber:
3983
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.4
CatalogNumber: AG27465
ChemicalName: 2-Methoxy-4-phenylpyridine
CasNumber: 53698-46-7
MolecularFormula: C12H11NO
MolecularWeight: 185.2218
MdlNumber: MFCD11044372
Smiles: COc1nccc(c1)c1ccccc1
NscNumber: __
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AG27465
ChemicalName:
2-Methoxy-4-phenylpyridine
CasNumber:
53698-46-7
MolecularFormula:
C12H11NO
MolecularWeight:
185.2218
MdlNumber:
MFCD11044372
Smiles:
COc1nccc(c1)c1ccccc1
NscNumber:
__
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)OC(=O)N1CCC(CC1)C2=CN=CC=C2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)OC(=O)N1CCC(CC1)C2=CN=CC=C2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=NC=C2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=NC=C2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__