AB47759
6704-31-0 | 3-Oxetanone
Manufacturer: A2B Chem
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CatalogNumber
AB47759
ChemicalName
3-Oxetanone
CasNumber
6704-31-0
MolecularFormula
C3H4O2
MolecularWeight
72.0627
MdlNumber
MFCD09263255
Smiles
O=C1COC1
Complexity
51.9
Covalently-bondedUnitCount
1
HeavyAtomCount
5
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.3
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CatalogNumber: AB47759
ChemicalName: 3-Oxetanone
CasNumber: 6704-31-0
MolecularFormula: C3H4O2
MolecularWeight: 72.0627
MdlNumber: MFCD09263255
Smiles: O=C1COC1
Complexity: 51.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 5
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.3
CatalogNumber:
AB47759
ChemicalName:
3-Oxetanone
CasNumber:
6704-31-0
MolecularFormula:
C3H4O2
MolecularWeight:
72.0627
MdlNumber:
MFCD09263255
Smiles:
O=C1COC1
Complexity:
51.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
5
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=C(P(=O)(OC)OC)C(=O)C
Complexity: 273
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=C(P(=O)(OC)OC)C(=O)C
Complexity:
273
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(CC)C)Cc1ccc(cc1)O)CCCN=C(N)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCC(=O)N1)CC(C)C)Cc1ccc(cc1)O)CCC(=O)O)CC(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB47763
ChemicalName: 2-Fluoro-5-formylpyridine
CasNumber: 677728-92-6
MolecularFormula: C6H4FNO
MolecularWeight: 125.1005
MdlNumber: MFCD08064049
Smiles: O=Cc1ccc(nc1)F
Complexity: 107
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AB47763
ChemicalName:
2-Fluoro-5-formylpyridine
CasNumber:
677728-92-6
MolecularFormula:
C6H4FNO
MolecularWeight:
125.1005
MdlNumber:
MFCD08064049
Smiles:
O=Cc1ccc(nc1)F
Complexity:
107
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7