AI53190
59-31-4 | Quinolin-2(1H)-one
Manufacturer: A2B Chem
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CatalogNumber
AI53190
ChemicalName
Quinolin-2(1H)-one
CasNumber
59-31-4
MolecularFormula
C9H7NO
MolecularWeight
145.158
MdlNumber
MFCD00006743
Smiles
O=c1ccc2c([nH]1)cccc2
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
Xlogp3
1.3
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CatalogNumber: AI53190
ChemicalName: Quinolin-2(1H)-one
CasNumber: 59-31-4
MolecularFormula: C9H7NO
MolecularWeight: 145.158
MdlNumber: MFCD00006743
Smiles: O=c1ccc2c([nH]1)cccc2
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
Xlogp3: 1.3
CatalogNumber:
AI53190
ChemicalName:
Quinolin-2(1H)-one
CasNumber:
59-31-4
MolecularFormula:
C9H7NO
MolecularWeight:
145.158
MdlNumber:
MFCD00006743
Smiles:
O=c1ccc2c([nH]1)cccc2
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C=CC(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C=CC(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AI53192
ChemicalName: Vitamin b1
CasNumber: 59-43-8
MolecularFormula: C12H17ClN4OS
MolecularWeight: 300.8076
MdlNumber: MFCD00044586
Smiles: OCCc1sc[n+](c1C)Cc1cnc(nc1N)C.[Cl-]
Complexity: 269
Covalently-bondedUnitCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
Xlogp3: __
CatalogNumber:
AI53192
ChemicalName:
Vitamin b1
CasNumber:
59-43-8
MolecularFormula:
C12H17ClN4OS
MolecularWeight:
300.8076
MdlNumber:
MFCD00044586
Smiles:
OCCc1sc[n+](c1C)Cc1cnc(nc1N)C.[Cl-]
Complexity:
269
Covalently-bondedUnitCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
Xlogp3:
__
CatalogNumber: AI53193
ChemicalName: 2-(diethylamino)ethyl 4-aminobenzoate
CasNumber: 59-46-1
MolecularFormula: C13H20N2O2
MolecularWeight: 236.3101
MdlNumber: MFCD00007893
Smiles: CCN(CCOC(=O)c1ccc(cc1)N)CC
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 1.9
CatalogNumber:
AI53193
ChemicalName:
2-(diethylamino)ethyl 4-aminobenzoate
CasNumber:
59-46-1
MolecularFormula:
C13H20N2O2
MolecularWeight:
236.3101
MdlNumber:
MFCD00007893
Smiles:
CCN(CCOC(=O)c1ccc(cc1)N)CC
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
1.9