AC51013
77156-77-5 | Ethyl 4-hydroxy-6,8-dimethylquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC51013
ChemicalName
Ethyl 4-hydroxy-6,8-dimethylquinoline-3-carboxylate
CasNumber
77156-77-5
MolecularFormula
C14H15NO3
MolecularWeight
245.2738
MdlNumber
MFCD00173389
Smiles
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2C)C
Complexity
389
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AC51013
ChemicalName: Ethyl 4-hydroxy-6,8-dimethylquinoline-3-carboxylate
CasNumber: 77156-77-5
MolecularFormula: C14H15NO3
MolecularWeight: 245.2738
MdlNumber: MFCD00173389
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2C)C
Complexity: 389
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AC51013
ChemicalName:
Ethyl 4-hydroxy-6,8-dimethylquinoline-3-carboxylate
CasNumber:
77156-77-5
MolecularFormula:
C14H15NO3
MolecularWeight:
245.2738
MdlNumber:
MFCD00173389
Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2C)C
Complexity:
389
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AC51017
ChemicalName: tert-Butyl n-(3-amino-3-thioxopropyl)carbamate
CasNumber: 77152-97-7
MolecularFormula: C8H16N2O2S
MolecularWeight: 204.2898
MdlNumber: MFCD02180883
Smiles: O=C(OC(C)(C)C)NCCC(=S)N
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.4
CatalogNumber:
AC51017
ChemicalName:
tert-Butyl n-(3-amino-3-thioxopropyl)carbamate
CasNumber:
77152-97-7
MolecularFormula:
C8H16N2O2S
MolecularWeight:
204.2898
MdlNumber:
MFCD02180883
Smiles:
O=C(OC(C)(C)C)NCCC(=S)N
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)CC(c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)CC(c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC51025
ChemicalName: 8-Bromo-4(1h)-quinazolinone
CasNumber: 77150-35-7
MolecularFormula: C8H5BrN2O
MolecularWeight: 225.0421
MdlNumber: MFCD10699396
Smiles: Brc1cccc2c1[nH]cnc2=O
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AC51025
ChemicalName:
8-Bromo-4(1h)-quinazolinone
CasNumber:
77150-35-7
MolecularFormula:
C8H5BrN2O
MolecularWeight:
225.0421
MdlNumber:
MFCD10699396
Smiles:
Brc1cccc2c1[nH]cnc2=O
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.4