AB76259
1072946-24-7 | Monolithium 4-methoxypyridine-3-boronate
Manufacturer: A2B Chem
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CatalogNumber
AB76259
ChemicalName
Monolithium 4-methoxypyridine-3-boronate
CasNumber
1072946-24-7
MolecularFormula
C6H7BLiNO3
MolecularWeight
158.8767
MdlNumber
MFCD10699631
Smiles
COc1ccncc1B(O)[O-].[Li+]
Complexity
129
Covalently-bondedUnitCount
2
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AB76259
ChemicalName: Monolithium 4-methoxypyridine-3-boronate
CasNumber: 1072946-24-7
MolecularFormula: C6H7BLiNO3
MolecularWeight: 158.8767
MdlNumber: MFCD10699631
Smiles: COc1ccncc1B(O)[O-].[Li+]
Complexity: 129
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB76259
ChemicalName:
Monolithium 4-methoxypyridine-3-boronate
CasNumber:
1072946-24-7
MolecularFormula:
C6H7BLiNO3
MolecularWeight:
158.8767
MdlNumber:
MFCD10699631
Smiles:
COc1ccncc1B(O)[O-].[Li+]
Complexity:
129
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AB76260
ChemicalName: Mono-methyl isophthalate
CasNumber: 1877-71-0
MolecularFormula: C9H8O4
MolecularWeight: 180.15741999999997
MdlNumber: MFCD00029972
Smiles: COC(=O)c1cccc(c1)C(=O)O
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AB76260
ChemicalName:
Mono-methyl isophthalate
CasNumber:
1877-71-0
MolecularFormula:
C9H8O4
MolecularWeight:
180.15741999999997
MdlNumber:
MFCD00029972
Smiles:
COC(=O)c1cccc(c1)C(=O)O
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AB76261
ChemicalName: Itaconic acid monomethyl ester
CasNumber: 7338-27-4
MolecularFormula: C6H8O4
MolecularWeight: 144.1253
MdlNumber: MFCD00021713
Smiles: COC(=O)CC(=C)C(=O)O
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AB76261
ChemicalName:
Itaconic acid monomethyl ester
CasNumber:
7338-27-4
MolecularFormula:
C6H8O4
MolecularWeight:
144.1253
MdlNumber:
MFCD00021713
Smiles:
COC(=O)CC(=C)C(=O)O
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
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Smiles: NC1CCCCC1.NC1CCCCC1.COP(=O)(O)O
Complexity: __
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RotatableBondCount: __
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CasNumber:
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MdlNumber:
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Smiles:
NC1CCCCC1.NC1CCCCC1.COP(=O)(O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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