AA82731
16051-87-9 | 3-Cyanopropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA82731
ChemicalName
3-Cyanopropanoic acid
CasNumber
16051-87-9
MolecularFormula
C4H5NO2
MolecularWeight
99.088
MdlNumber
MFCD00233974
Smiles
N#CCCC(=O)O
NscNumber
97378
Complexity
110
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.6
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CatalogNumber: AA82731
ChemicalName: 3-Cyanopropanoic acid
CasNumber: 16051-87-9
MolecularFormula: C4H5NO2
MolecularWeight: 99.088
MdlNumber: MFCD00233974
Smiles: N#CCCC(=O)O
NscNumber: 97378
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AA82731
ChemicalName:
3-Cyanopropanoic acid
CasNumber:
16051-87-9
MolecularFormula:
C4H5NO2
MolecularWeight:
99.088
MdlNumber:
MFCD00233974
Smiles:
N#CCCC(=O)O
NscNumber:
97378
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CCP(=O)(O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CCP(=O)(O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(c(c1)F)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(c(c1)F)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA82736
ChemicalName: 3-Fluoro-4-nitrobenzaldehyde
CasNumber: 160538-51-2
MolecularFormula: C7H4FNO3
MolecularWeight: 169.11
MdlNumber: MFCD00968940
Smiles: O=Cc1ccc(c(c1)F)[N+](=O)[O-]
NscNumber: __
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA82736
ChemicalName:
3-Fluoro-4-nitrobenzaldehyde
CasNumber:
160538-51-2
MolecularFormula:
C7H4FNO3
MolecularWeight:
169.11
MdlNumber:
MFCD00968940
Smiles:
O=Cc1ccc(c(c1)F)[N+](=O)[O-]
NscNumber:
__
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.4