AB48316
70165-31-0 | 6-Cyanonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48316
ChemicalName
6-Cyanonicotinic acid
CasNumber
70165-31-0
MolecularFormula
C7H4N2O2
MolecularWeight
148.1189
MdlNumber
MFCD01318135
Smiles
N#Cc1ccc(cn1)C(=O)O
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AB48316
ChemicalName: 6-Cyanonicotinic acid
CasNumber: 70165-31-0
MolecularFormula: C7H4N2O2
MolecularWeight: 148.1189
MdlNumber: MFCD01318135
Smiles: N#Cc1ccc(cn1)C(=O)O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB48316
ChemicalName:
6-Cyanonicotinic acid
CasNumber:
70165-31-0
MolecularFormula:
C7H4N2O2
MolecularWeight:
148.1189
MdlNumber:
MFCD01318135
Smiles:
N#Cc1ccc(cn1)C(=O)O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)CNCO.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)CNCO.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48318
ChemicalName: (S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
CasNumber: 78553-51-2
MolecularFormula: C13H15NO4
MolecularWeight: 249.2625
MdlNumber: MFCD02094548
Smiles: C=CC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.2
CatalogNumber:
AB48318
ChemicalName:
(S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
CasNumber:
78553-51-2
MolecularFormula:
C13H15NO4
MolecularWeight:
249.2625
MdlNumber:
MFCD02094548
Smiles:
C=CC[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(C)c(cc1C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(C)c(cc1C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__