AB44749
6975-44-6 | Ethyl 4,6-dihydroxynicotinate
Manufacturer: A2B Chem
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CatalogNumber
AB44749
ChemicalName
Ethyl 4,6-dihydroxynicotinate
CasNumber
6975-44-6
MolecularFormula
C8H9NO4
MolecularWeight
183.1614
MdlNumber
MFCD00834976
Smiles
CCOC(=O)c1c[nH]c(=O)cc1O
NscNumber
22486
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.1
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CatalogNumber: AB44749
ChemicalName: Ethyl 4,6-dihydroxynicotinate
CasNumber: 6975-44-6
MolecularFormula: C8H9NO4
MolecularWeight: 183.1614
MdlNumber: MFCD00834976
Smiles: CCOC(=O)c1c[nH]c(=O)cc1O
NscNumber: 22486
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AB44749
ChemicalName:
Ethyl 4,6-dihydroxynicotinate
CasNumber:
6975-44-6
MolecularFormula:
C8H9NO4
MolecularWeight:
183.1614
MdlNumber:
MFCD00834976
Smiles:
CCOC(=O)c1c[nH]c(=O)cc1O
NscNumber:
22486
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.1
CatalogNumber: AB44750
ChemicalName: 4,4,4-Trifluoro-1-butanol
CasNumber: 461-18-7
MolecularFormula: C4H7F3O
MolecularWeight: 128.093
MdlNumber: MFCD00041483
Smiles: OCCCC(F)(F)F
NscNumber: __
Complexity: 58.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB44750
ChemicalName:
4,4,4-Trifluoro-1-butanol
CasNumber:
461-18-7
MolecularFormula:
C4H7F3O
MolecularWeight:
128.093
MdlNumber:
MFCD00041483
Smiles:
OCCCC(F)(F)F
NscNumber:
__
Complexity:
58.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AB44751
ChemicalName: 5-Methylfuran-2-boronic acid, pinacol ester
CasNumber: 338998-93-9
MolecularFormula: C11H17BO3
MolecularWeight: 208.0619
MdlNumber: MFCD03094689
Smiles: Cc1ccc(o1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44751
ChemicalName:
5-Methylfuran-2-boronic acid, pinacol ester
CasNumber:
338998-93-9
MolecularFormula:
C11H17BO3
MolecularWeight:
208.0619
MdlNumber:
MFCD03094689
Smiles:
Cc1ccc(o1)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)c1ccc(cc1)Br
NscNumber: __
Complexity: 145
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)c1ccc(cc1)Br
NscNumber:
__
Complexity:
145
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.7