AB72179
617-54-9 | Citraconic acid dimethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB72179
ChemicalName
Citraconic acid dimethyl ester
CasNumber
617-54-9
MolecularFormula
C7H10O4
MolecularWeight
158.1519
MdlNumber
MFCD00059306
Smiles
COC(=O)/C=C(C(=O)OC)/C
NscNumber
43975
Complexity
193
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB72179
ChemicalName: Citraconic acid dimethyl ester
CasNumber: 617-54-9
MolecularFormula: C7H10O4
MolecularWeight: 158.1519
MdlNumber: MFCD00059306
Smiles: COC(=O)/C=C(C(=O)OC)/C
NscNumber: 43975
Complexity: 193
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB72179
ChemicalName:
Citraconic acid dimethyl ester
CasNumber:
617-54-9
MolecularFormula:
C7H10O4
MolecularWeight:
158.1519
MdlNumber:
MFCD00059306
Smiles:
COC(=O)/C=C(C(=O)OC)/C
NscNumber:
43975
Complexity:
193
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB72180
ChemicalName: 1,1-Diethoxy-3,7-dimethylocta-2,6-diene
CasNumber: 7492-66-2
MolecularFormula: C14H26O2
MolecularWeight: 226.355
MdlNumber: MFCD00036575
Smiles: CCOC(/C=C(/CCC=C(C)C)\C)OCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB72180
ChemicalName:
1,1-Diethoxy-3,7-dimethylocta-2,6-diene
CasNumber:
7492-66-2
MolecularFormula:
C14H26O2
MolecularWeight:
226.355
MdlNumber:
MFCD00036575
Smiles:
CCOC(/C=C(/CCC=C(C)C)\C)OCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(/C=C(/CCC=C(C)C)C)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(/C=C(/CCC=C(C)C)C)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(OC(=O)CC(C(=O)O)(CC(=O)O)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(OC(=O)CC(C(=O)O)(CC(=O)O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__