AB46929
80370-42-9 | Ethyl-2-formyl-3-oxopropionate
Manufacturer: A2B Chem
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CatalogNumber
AB46929
ChemicalName
Ethyl-2-formyl-3-oxopropionate
CasNumber
80370-42-9
MolecularFormula
C6H8O4
MolecularWeight
144.1253
MdlNumber
MFCD11112084
Smiles
CCOC(=O)C(C=O)C=O
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
-0.2
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CatalogNumber: AB46929
ChemicalName: Ethyl-2-formyl-3-oxopropionate
CasNumber: 80370-42-9
MolecularFormula: C6H8O4
MolecularWeight: 144.1253
MdlNumber: MFCD11112084
Smiles: CCOC(=O)C(C=O)C=O
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: -0.2
CatalogNumber:
AB46929
ChemicalName:
Ethyl-2-formyl-3-oxopropionate
CasNumber:
80370-42-9
MolecularFormula:
C6H8O4
MolecularWeight:
144.1253
MdlNumber:
MFCD11112084
Smiles:
CCOC(=O)C(C=O)C=O
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C#C
Complexity: 95.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C#C
Complexity:
95.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: AB46931
ChemicalName: Propiolamide
CasNumber: 7341-96-0
MolecularFormula: C3H3NO
MolecularWeight: 69.062
MdlNumber: MFCD04035573
Smiles: NC(=O)C#C
Complexity: 86.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 5
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
AB46931
ChemicalName:
Propiolamide
CasNumber:
7341-96-0
MolecularFormula:
C3H3NO
MolecularWeight:
69.062
MdlNumber:
MFCD04035573
Smiles:
NC(=O)C#C
Complexity:
86.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
5
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)O
Complexity: 40.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)O
Complexity:
40.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3