AB48499
67751-23-9 | E-1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB48499
ChemicalName
E-1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
CasNumber
67751-23-9
MolecularFormula
C8H15NO3
MolecularWeight
173.2096
MdlNumber
MFCD00085024
Smiles
COC(C(=O)/C=C/N(C)C)OC
Complexity
162
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
0.2
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CatalogNumber: AB48499
ChemicalName: E-1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
CasNumber: 67751-23-9
MolecularFormula: C8H15NO3
MolecularWeight: 173.2096
MdlNumber: MFCD00085024
Smiles: COC(C(=O)/C=C/N(C)C)OC
Complexity: 162
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 0.2
CatalogNumber:
AB48499
ChemicalName:
E-1,1-Dimethoxy-4-dimethylaminobut-3-en-2-one
CasNumber:
67751-23-9
MolecularFormula:
C8H15NO3
MolecularWeight:
173.2096
MdlNumber:
MFCD00085024
Smiles:
COC(C(=O)/C=C/N(C)C)OC
Complexity:
162
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
0.2
CatalogNumber: AB48500
ChemicalName: 2,4,6-Trichloropyrimidine-5-carboxylic acid
CasNumber: 93416-51-4
MolecularFormula: C5HCl3N2O2
MolecularWeight: 227.4326
MdlNumber: MFCD09909820
Smiles: OC(=O)c1c(Cl)nc(nc1Cl)Cl
Complexity: 180
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB48500
ChemicalName:
2,4,6-Trichloropyrimidine-5-carboxylic acid
CasNumber:
93416-51-4
MolecularFormula:
C5HCl3N2O2
MolecularWeight:
227.4326
MdlNumber:
MFCD09909820
Smiles:
OC(=O)c1c(Cl)nc(nc1Cl)Cl
Complexity:
180
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AB48501
ChemicalName: 2,5-Dibromothiophene-3-carboxylic acid
CasNumber: 7311-70-8
MolecularFormula: C5H2Br2O2S
MolecularWeight: 285.9412
MdlNumber: MFCD08445656
Smiles: Brc1sc(c(c1)C(=O)O)Br
Complexity: 153
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AB48501
ChemicalName:
2,5-Dibromothiophene-3-carboxylic acid
CasNumber:
7311-70-8
MolecularFormula:
C5H2Br2O2S
MolecularWeight:
285.9412
MdlNumber:
MFCD08445656
Smiles:
Brc1sc(c(c1)C(=O)O)Br
Complexity:
153
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc(Cl)c2c(c1)[nH]cc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc(Cl)c2c(c1)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__