AB49200
3788-94-1 | Ethyl 2-(ethoxymethylene)acetoacetate
Manufacturer: A2B Chem
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CatalogNumber
AB49200
ChemicalName
Ethyl 2-(ethoxymethylene)acetoacetate
CasNumber
3788-94-1
MolecularFormula
C9H14O4
MolecularWeight
186.2051
MdlNumber
MFCD06797311
Smiles
CCO/C=C(\C(=O)OCC)/C(=O)C
NscNumber
32775
Complexity
218
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
1
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CatalogNumber: AB49200
ChemicalName: Ethyl 2-(ethoxymethylene)acetoacetate
CasNumber: 3788-94-1
MolecularFormula: C9H14O4
MolecularWeight: 186.2051
MdlNumber: MFCD06797311
Smiles: CCO/C=C(\C(=O)OCC)/C(=O)C
NscNumber: 32775
Complexity: 218
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 1
CatalogNumber:
AB49200
ChemicalName:
Ethyl 2-(ethoxymethylene)acetoacetate
CasNumber:
3788-94-1
MolecularFormula:
C9H14O4
MolecularWeight:
186.2051
MdlNumber:
MFCD06797311
Smiles:
CCO/C=C(\C(=O)OCC)/C(=O)C
NscNumber:
32775
Complexity:
218
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
1
CatalogNumber: AB49201
ChemicalName: Ethyl 1H-tetrazole-5-carboxylate
CasNumber: 55408-10-1
MolecularFormula: C4H6N4O2
MolecularWeight: 142.116
MdlNumber: MFCD00243017
Smiles: CCOC(=O)c1nnn[nH]1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB49201
ChemicalName:
Ethyl 1H-tetrazole-5-carboxylate
CasNumber:
55408-10-1
MolecularFormula:
C4H6N4O2
MolecularWeight:
142.116
MdlNumber:
MFCD00243017
Smiles:
CCOC(=O)c1nnn[nH]1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccccn1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccccn1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49203
ChemicalName: 2-Bromo-N,N-dimethylacetamide
CasNumber: 5468-77-9
MolecularFormula: C4H8BrNO
MolecularWeight: 166.0164
MdlNumber: MFCD12026683
Smiles: BrCC(=O)N(C)C
NscNumber: 15089
Complexity: 72.1
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB49203
ChemicalName:
2-Bromo-N,N-dimethylacetamide
CasNumber:
5468-77-9
MolecularFormula:
C4H8BrNO
MolecularWeight:
166.0164
MdlNumber:
MFCD12026683
Smiles:
BrCC(=O)N(C)C
NscNumber:
15089
Complexity:
72.1
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5