AB68555
908369-20-0 | 5-(Hydroxymethyl)-3-pyridinyl boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68555
ChemicalName
5-(Hydroxymethyl)-3-pyridinyl boronic acid
CasNumber
908369-20-0
MolecularFormula
C6H8BNO3
MolecularWeight
152.94361999999998
MdlNumber
MFCD09952042
Smiles
OCc1cncc(c1)B(O)O
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AB68555
ChemicalName: 5-(Hydroxymethyl)-3-pyridinyl boronic acid
CasNumber: 908369-20-0
MolecularFormula: C6H8BNO3
MolecularWeight: 152.94361999999998
MdlNumber: MFCD09952042
Smiles: OCc1cncc(c1)B(O)O
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AB68555
ChemicalName:
5-(Hydroxymethyl)-3-pyridinyl boronic acid
CasNumber:
908369-20-0
MolecularFormula:
C6H8BNO3
MolecularWeight:
152.94361999999998
MdlNumber:
MFCD09952042
Smiles:
OCc1cncc(c1)B(O)O
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: AB68556
ChemicalName: 5-(Isopropylamino)pentanol
CasNumber: 40447-21-0
MolecularFormula: C8H19NO
MolecularWeight: 145.2426
MdlNumber: MFCD14708174
Smiles: OCCCCCNC(C)C
Complexity: 64.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 6
CatalogNumber:
AB68556
ChemicalName:
5-(Isopropylamino)pentanol
CasNumber:
40447-21-0
MolecularFormula:
C8H19NO
MolecularWeight:
145.2426
MdlNumber:
MFCD14708174
Smiles:
OCCCCCNC(C)C
Complexity:
64.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
6
CatalogNumber: AB68557
ChemicalName: 5-Methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CasNumber: 74936-72-4
MolecularFormula: C16H16N2O6
MolecularWeight: 332.308
MdlNumber: MFCD00475478
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB68557
ChemicalName:
5-Methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CasNumber:
74936-72-4
MolecularFormula:
C16H16N2O6
MolecularWeight:
332.308
MdlNumber:
MFCD00475478
Smiles:
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB68558
ChemicalName: 5-(Methoxycarbonyl)-2-nitrobenzoic acid
CasNumber: 76143-33-4
MolecularFormula: C9H7NO6
MolecularWeight: 225.155
MdlNumber: MFCD08690063
Smiles: COC(=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AB68558
ChemicalName:
5-(Methoxycarbonyl)-2-nitrobenzoic acid
CasNumber:
76143-33-4
MolecularFormula:
C9H7NO6
MolecularWeight:
225.155
MdlNumber:
MFCD08690063
Smiles:
COC(=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3