AD43745
17190-29-3 | 3-Hydroxy-3-phenyl-propionitrile
Manufacturer: A2B Chem
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CatalogNumber
AD43745
ChemicalName
3-Hydroxy-3-phenyl-propionitrile
CasNumber
17190-29-3
MolecularFormula
C9H9NO
MolecularWeight
147.17386000000002
MdlNumber
MFCD00544189
Smiles
OC(c1ccccc1)CC#N
Complexity
152
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AD43745
ChemicalName: 3-Hydroxy-3-phenyl-propionitrile
CasNumber: 17190-29-3
MolecularFormula: C9H9NO
MolecularWeight: 147.17386000000002
MdlNumber: MFCD00544189
Smiles: OC(c1ccccc1)CC#N
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AD43745
ChemicalName:
3-Hydroxy-3-phenyl-propionitrile
CasNumber:
17190-29-3
MolecularFormula:
C9H9NO
MolecularWeight:
147.17386000000002
MdlNumber:
MFCD00544189
Smiles:
OC(c1ccccc1)CC#N
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CN(C(=O)CCC(=O)O)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CN(C(=O)CCC(=O)O)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AD43748
ChemicalName: 2-[4-(Methylsulfanyl)phenyl]benzonitrile
CasNumber: 171879-75-7
MolecularFormula: C14H11NS
MolecularWeight: 225.3088
MdlNumber: MFCD05981388
Smiles: CSc1ccc(cc1)c1ccccc1C#N
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 4.1
CatalogNumber:
AD43748
ChemicalName:
2-[4-(Methylsulfanyl)phenyl]benzonitrile
CasNumber:
171879-75-7
MolecularFormula:
C14H11NS
MolecularWeight:
225.3088
MdlNumber:
MFCD05981388
Smiles:
CSc1ccc(cc1)c1ccccc1C#N
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1ccccc1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)Cc1ccccc1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__