AB49061
48059-97-8 | (E)-Oct-4-ene-1,8-dioic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49061
ChemicalName
(E)-Oct-4-ene-1,8-dioic acid
CasNumber
48059-97-8
MolecularFormula
C8H12O4
MolecularWeight
172.1785
MdlNumber
MFCD09750674
Smiles
OC(=O)CC/C=C/CCC(=O)O
Complexity
164
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
0.5
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CatalogNumber: AB49061
ChemicalName: (E)-Oct-4-ene-1,8-dioic acid
CasNumber: 48059-97-8
MolecularFormula: C8H12O4
MolecularWeight: 172.1785
MdlNumber: MFCD09750674
Smiles: OC(=O)CC/C=C/CCC(=O)O
Complexity: 164
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 0.5
CatalogNumber:
AB49061
ChemicalName:
(E)-Oct-4-ene-1,8-dioic acid
CasNumber:
48059-97-8
MolecularFormula:
C8H12O4
MolecularWeight:
172.1785
MdlNumber:
MFCD09750674
Smiles:
OC(=O)CC/C=C/CCC(=O)O
Complexity:
164
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: S=C(SCCC(=O)O)SCc1ccccc1
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
S=C(SCCC(=O)O)SCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Oc1cccc2c1c(O)c1c(c2)cccc1O
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Oc1cccc2c1c(O)c1c(c2)cccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCc1cc(Cl)nc(n1)N
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1cc(Cl)nc(n1)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__