AA56571
138-59-0 | Shikimic acid
Manufacturer: A2B Chem
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CatalogNumber
AA56571
ChemicalName
Shikimic acid
CasNumber
138-59-0
MolecularFormula
C7H10O5
MolecularWeight
174.1513
MdlNumber
MFCD00066278
Smiles
O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)O
Complexity
222
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
1
Xlogp3
-1.7
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CatalogNumber: AA56571
ChemicalName: Shikimic acid
CasNumber: 138-59-0
MolecularFormula: C7H10O5
MolecularWeight: 174.1513
MdlNumber: MFCD00066278
Smiles: O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)O
Complexity: 222
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 1
Xlogp3: -1.7
CatalogNumber:
AA56571
ChemicalName:
Shikimic acid
CasNumber:
138-59-0
MolecularFormula:
C7H10O5
MolecularWeight:
174.1513
MdlNumber:
MFCD00066278
Smiles:
O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)O
Complexity:
222
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
1
Xlogp3:
-1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[Bi](OC(=O)c1cc(O)c(c(c1)O)O)I
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[Bi](OC(=O)c1cc(O)c(c(c1)O)O)I
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)C=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)C=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__