AB52526
79418-78-3 | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB52526
ChemicalName
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
CasNumber
79418-78-3
MolecularFormula
C8H7FO3
MolecularWeight
170.1378
MdlNumber
MFCD02683560
Smiles
COc1cc(C=O)cc(c1O)F
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB52526
ChemicalName: 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
CasNumber: 79418-78-3
MolecularFormula: C8H7FO3
MolecularWeight: 170.1378
MdlNumber: MFCD02683560
Smiles: COc1cc(C=O)cc(c1O)F
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB52526
ChemicalName:
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
CasNumber:
79418-78-3
MolecularFormula:
C8H7FO3
MolecularWeight:
170.1378
MdlNumber:
MFCD02683560
Smiles:
COc1cc(C=O)cc(c1O)F
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AB52527
ChemicalName: (R)-2-((Methoxycarbonyl)amino)-3-methylbutanoic acid
CasNumber: 171567-86-5
MolecularFormula: C7H13NO4
MolecularWeight: 175.18241999999998
MdlNumber: MFCD21234526
Smiles: COC(=O)N[C@@H](C(=O)O)C(C)C
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.9
CatalogNumber:
AB52527
ChemicalName:
(R)-2-((Methoxycarbonyl)amino)-3-methylbutanoic acid
CasNumber:
171567-86-5
MolecularFormula:
C7H13NO4
MolecularWeight:
175.18241999999998
MdlNumber:
MFCD21234526
Smiles:
COC(=O)N[C@@H](C(=O)O)C(C)C
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)F)[C@]([C@H](O)C)(Cn1cncn1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)F)[C@]([C@H](O)C)(Cn1cncn1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52529
ChemicalName: 6-Aza-spiro[3.4]octane
CasNumber: 765-64-0
MolecularFormula: C7H13N
MolecularWeight: 111.1848
MdlNumber: MFCD09759054
Smiles: C1CC2(C1)CCNC2
Complexity: 94.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AB52529
ChemicalName:
6-Aza-spiro[3.4]octane
CasNumber:
765-64-0
MolecularFormula:
C7H13N
MolecularWeight:
111.1848
MdlNumber:
MFCD09759054
Smiles:
C1CC2(C1)CCNC2
Complexity:
94.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.1