AI52459
55556-66-6 | t-Butyl methyl fumarate
Manufacturer: A2B Chem
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CatalogNumber
AI52459
ChemicalName
t-Butyl methyl fumarate
CasNumber
55556-66-6
MolecularFormula
C9H14O4
MolecularWeight
186.2051
MdlNumber
MFCD26383412
Smiles
COC(=O)/C=C/C(=O)OC(C)(C)C
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
5
UndefinedBondStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AI52459
ChemicalName: t-Butyl methyl fumarate
CasNumber: 55556-66-6
MolecularFormula: C9H14O4
MolecularWeight: 186.2051
MdlNumber: MFCD26383412
Smiles: COC(=O)/C=C/C(=O)OC(C)(C)C
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedBondStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AI52459
ChemicalName:
t-Butyl methyl fumarate
CasNumber:
55556-66-6
MolecularFormula:
C9H14O4
MolecularWeight:
186.2051
MdlNumber:
MFCD26383412
Smiles:
COC(=O)/C=C/C(=O)OC(C)(C)C
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedBondStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Oc1cccc2c1onc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
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__
MdlNumber:
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Smiles:
Oc1cccc2c1onc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: [O-]S(=O)(=O)[O-].OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]S(=O)(=O)[O-].OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1[nH]c2c(c1)cc(cc2)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1[nH]c2c(c1)cc(cc2)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__