AB27549
25128-32-9 | 2,3-Dioxoindoline-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB27549
ChemicalName
2,3-Dioxoindoline-5-carboxylic acid
CasNumber
25128-32-9
MolecularFormula
C9H5NO4
MolecularWeight
191.1403
MdlNumber
MFCD00967204
Smiles
O=C1Nc2c(C1=O)cc(cc2)C(=O)O
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB27549
ChemicalName: 2,3-Dioxoindoline-5-carboxylic acid
CasNumber: 25128-32-9
MolecularFormula: C9H5NO4
MolecularWeight: 191.1403
MdlNumber: MFCD00967204
Smiles: O=C1Nc2c(C1=O)cc(cc2)C(=O)O
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB27549
ChemicalName:
2,3-Dioxoindoline-5-carboxylic acid
CasNumber:
25128-32-9
MolecularFormula:
C9H5NO4
MolecularWeight:
191.1403
MdlNumber:
MFCD00967204
Smiles:
O=C1Nc2c(C1=O)cc(cc2)C(=O)O
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(OC)ccc2-c3c4[C@@H](Cc12)N(C)CCc4cc1c3OCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(OC)ccc2-c3c4[C@@H](Cc12)N(C)CCc4cc1c3OCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C/C=C/CC(=O)OC
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C/C=C/CC(=O)OC
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CC[C@]2(C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CC[C@]2(C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__