AB76068
39665-58-2 | Methyl guaiazulene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB76068
ChemicalName
Methyl guaiazulene-3-carboxylate
CasNumber
39665-58-2
MolecularFormula
C17H20O2
MolecularWeight
256.3395
MdlNumber
MFCD06204039
Smiles
COC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
4.6
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CatalogNumber: AB76068
ChemicalName: Methyl guaiazulene-3-carboxylate
CasNumber: 39665-58-2
MolecularFormula: C17H20O2
MolecularWeight: 256.3395
MdlNumber: MFCD06204039
Smiles: COC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 4.6
CatalogNumber:
AB76068
ChemicalName:
Methyl guaiazulene-3-carboxylate
CasNumber:
39665-58-2
MolecularFormula:
C17H20O2
MolecularWeight:
256.3395
MdlNumber:
MFCD06204039
Smiles:
COC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCC(=O)OC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCC(=O)OC
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB76071
ChemicalName: Methyl hesperidin
CasNumber: 11013-97-1
MolecularFormula: C29H36O15
MolecularWeight: 624.5871
MdlNumber: MFCD01741310
Smiles: COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB76071
ChemicalName:
Methyl hesperidin
CasNumber:
11013-97-1
MolecularFormula:
C29H36O15
MolecularWeight:
624.5871
MdlNumber:
MFCD01741310
Smiles:
COc1ccc(cc1OC)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__