AB63403
64152-09-6 | 3-(Methoxycarbonyl)-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63403
ChemicalName
3-(Methoxycarbonyl)-4-nitrobenzoic acid
CasNumber
64152-09-6
MolecularFormula
C9H7NO6
MolecularWeight
225.155
MdlNumber
MFCD09026978
Smiles
COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.2
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CatalogNumber: AB63403
ChemicalName: 3-(Methoxycarbonyl)-4-nitrobenzoic acid
CasNumber: 64152-09-6
MolecularFormula: C9H7NO6
MolecularWeight: 225.155
MdlNumber: MFCD09026978
Smiles: COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB63403
ChemicalName:
3-(Methoxycarbonyl)-4-nitrobenzoic acid
CasNumber:
64152-09-6
MolecularFormula:
C9H7NO6
MolecularWeight:
225.155
MdlNumber:
MFCD09026978
Smiles:
COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
CatalogNumber: AB63404
ChemicalName: 3-(Methoxycarbonyl)furan-2-boronic acid
CasNumber: 868286-61-7
MolecularFormula: C6H7BO5
MolecularWeight: 169.9278
MdlNumber: MFCD12025980
Smiles: COC(=O)c1ccoc1B(O)O
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB63404
ChemicalName:
3-(Methoxycarbonyl)furan-2-boronic acid
CasNumber:
868286-61-7
MolecularFormula:
C6H7BO5
MolecularWeight:
169.9278
MdlNumber:
MFCD12025980
Smiles:
COC(=O)c1ccoc1B(O)O
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCOCCC=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCOCCC=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCOCCC#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCOCCC#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__