AG16787
5462-71-5 | (4-Cyanophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG16787
ChemicalName
(4-Cyanophenyl)acetic acid
CasNumber
5462-71-5
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD06798066
Smiles
N#Cc1ccc(cc1)CC(=O)O
NscNumber
14104
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AG16787
ChemicalName: (4-Cyanophenyl)acetic acid
CasNumber: 5462-71-5
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD06798066
Smiles: N#Cc1ccc(cc1)CC(=O)O
NscNumber: 14104
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AG16787
ChemicalName:
(4-Cyanophenyl)acetic acid
CasNumber:
5462-71-5
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD06798066
Smiles:
N#Cc1ccc(cc1)CC(=O)O
NscNumber:
14104
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AG16788
ChemicalName: 1-N-Boc-3-cyanopyrrolidine
CasNumber: 476493-40-0
MolecularFormula: C10H16N2O2
MolecularWeight: 196.2462
MdlNumber: MFCD03001709
Smiles: N#CC1CCN(C1)C(=O)OC(C)(C)C
NscNumber: __
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AG16788
ChemicalName:
1-N-Boc-3-cyanopyrrolidine
CasNumber:
476493-40-0
MolecularFormula:
C10H16N2O2
MolecularWeight:
196.2462
MdlNumber:
MFCD03001709
Smiles:
N#CC1CCN(C1)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: AG16789
ChemicalName: (4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber: 55397-08-5
MolecularFormula: C13H11NO2
MolecularWeight: 213.23193999999998
MdlNumber: MFCD06658509
Smiles: OC(=O)Cc1ccc(cc1)c1ccncc1
NscNumber: __
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AG16789
ChemicalName:
(4-Pyridin-4-yl-phenyl)-acetic acid
CasNumber:
55397-08-5
MolecularFormula:
C13H11NO2
MolecularWeight:
213.23193999999998
MdlNumber:
MFCD06658509
Smiles:
OC(=O)Cc1ccc(cc1)c1ccncc1
NscNumber:
__
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cc(ccc1F)[N+](=O)[O-])OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cc(ccc1F)[N+](=O)[O-])OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__