AB48365
68432-92-8 | Methyl 3-(cyanomethyl) benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB48365
ChemicalName
Methyl 3-(cyanomethyl) benzoate
CasNumber
68432-92-8
MolecularFormula
C10H9NO2
MolecularWeight
175.184
MdlNumber
MFCD07783720
Smiles
N#CCc1cccc(c1)C(=O)OC
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AB48365
ChemicalName: Methyl 3-(cyanomethyl) benzoate
CasNumber: 68432-92-8
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD07783720
Smiles: N#CCc1cccc(c1)C(=O)OC
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB48365
ChemicalName:
Methyl 3-(cyanomethyl) benzoate
CasNumber:
68432-92-8
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD07783720
Smiles:
N#CCc1cccc(c1)C(=O)OC
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AB48366
ChemicalName: 9-[(2-Acetoxyethoxy)methyl]-acetylguanine
CasNumber: 75128-73-3
MolecularFormula: C12H15N5O5
MolecularWeight: 309.278
MdlNumber: MFCD00267706
Smiles: CC(=O)OCCOCn1cnc2c1nc(NC(=O)C)[nH]c2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB48366
ChemicalName:
9-[(2-Acetoxyethoxy)methyl]-acetylguanine
CasNumber:
75128-73-3
MolecularFormula:
C12H15N5O5
MolecularWeight:
309.278
MdlNumber:
MFCD00267706
Smiles:
CC(=O)OCCOCn1cnc2c1nc(NC(=O)C)[nH]c2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48367
ChemicalName: 4-(Trifluoromethyl)cyclohexanone
CasNumber: 75091-99-5
MolecularFormula: C7H9F3O
MolecularWeight: 166.141
MdlNumber: MFCD00102145
Smiles: FC(C1CCC(=O)CC1)(F)F
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AB48367
ChemicalName:
4-(Trifluoromethyl)cyclohexanone
CasNumber:
75091-99-5
MolecularFormula:
C7H9F3O
MolecularWeight:
166.141
MdlNumber:
MFCD00102145
Smiles:
FC(C1CCC(=O)CC1)(F)F
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CCCNCCCN(C)C)C
Complexity: 90.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CCCNCCCN(C)C)C
Complexity:
90.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6