AB73853
53554-29-3 | Ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB73853
ChemicalName
Ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
CasNumber
53554-29-3
MolecularFormula
C8H10N2O3S
MolecularWeight
214.2416
MdlNumber
MFCD03002357
Smiles
CCOC(=O)c1cnc([nH]c1=O)SC
NscNumber
43816
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB73853
ChemicalName: Ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
CasNumber: 53554-29-3
MolecularFormula: C8H10N2O3S
MolecularWeight: 214.2416
MdlNumber: MFCD03002357
Smiles: CCOC(=O)c1cnc([nH]c1=O)SC
NscNumber: 43816
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB73853
ChemicalName:
Ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
CasNumber:
53554-29-3
MolecularFormula:
C8H10N2O3S
MolecularWeight:
214.2416
MdlNumber:
MFCD03002357
Smiles:
CCOC(=O)c1cnc([nH]c1=O)SC
NscNumber:
43816
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnc(nc1O)N1CCOCC1
NscNumber: __
Complexity: 411
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc(nc1O)N1CCOCC1
NscNumber:
__
Complexity:
411
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.7
CatalogNumber: AB73855
ChemicalName: Ethyl vanillate
CasNumber: 617-05-0
MolecularFormula: C10H12O4
MolecularWeight: 196.1999
MdlNumber: MFCD00017269
Smiles: CCOC(=O)c1ccc(c(c1)OC)O
NscNumber: 8513
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AB73855
ChemicalName:
Ethyl vanillate
CasNumber:
617-05-0
MolecularFormula:
C10H12O4
MolecularWeight:
196.1999
MdlNumber:
MFCD00017269
Smiles:
CCOC(=O)c1ccc(c(c1)OC)O
NscNumber:
8513
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AB73856
ChemicalName: Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate
CasNumber: 26893-12-9
MolecularFormula: C13H10F3NO3
MolecularWeight: 285.2186
MdlNumber: MFCD00173369
Smiles: CCOC(=O)c1cnc2c(c1O)cc(cc2)C(F)(F)F
NscNumber: __
Complexity: 445
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB73856
ChemicalName:
Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate
CasNumber:
26893-12-9
MolecularFormula:
C13H10F3NO3
MolecularWeight:
285.2186
MdlNumber:
MFCD00173369
Smiles:
CCOC(=O)c1cnc2c(c1O)cc(cc2)C(F)(F)F
NscNumber:
__
Complexity:
445
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9