AB70439
22047-25-2 | Acetylpyrazine
Manufacturer: A2B Chem
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CatalogNumber
AB70439
ChemicalName
Acetylpyrazine
CasNumber
22047-25-2
MolecularFormula
C6H6N2O
MolecularWeight
122.1246
MdlNumber
MFCD00006134
Smiles
CC(=O)c1cnccn1
NscNumber
72374
Complexity
114
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB70439
ChemicalName: Acetylpyrazine
CasNumber: 22047-25-2
MolecularFormula: C6H6N2O
MolecularWeight: 122.1246
MdlNumber: MFCD00006134
Smiles: CC(=O)c1cnccn1
NscNumber: 72374
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB70439
ChemicalName:
Acetylpyrazine
CasNumber:
22047-25-2
MolecularFormula:
C6H6N2O
MolecularWeight:
122.1246
MdlNumber:
MFCD00006134
Smiles:
CC(=O)c1cnccn1
NscNumber:
72374
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccccc1OC(=O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccccc1OC(=O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB70441
ChemicalName: Acetylurea
CasNumber: 591-07-1
MolecularFormula: C3H6N2O2
MolecularWeight: 102.0919
MdlNumber: MFCD00038140
Smiles: CC(=O)NC(=O)N
NscNumber: 2766
Complexity: 99.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: -0.7
CatalogNumber:
AB70441
ChemicalName:
Acetylurea
CasNumber:
591-07-1
MolecularFormula:
C3H6N2O2
MolecularWeight:
102.0919
MdlNumber:
MFCD00038140
Smiles:
CC(=O)NC(=O)N
NscNumber:
2766
Complexity:
99.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccccc1/N=N/c1c(O)c2cc(ccc2cc1S(=O)(=O)O)Nc1ccccc1.[Na]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccccc1/N=N/c1c(O)c2cc(ccc2cc1S(=O)(=O)O)Nc1ccccc1.[Na]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__