AD80675
10453-89-1 | Chrysanthemic acid
Manufacturer: A2B Chem
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CatalogNumber
AD80675
ChemicalName
Chrysanthemic acid
CasNumber
10453-89-1
MolecularFormula
C10H16O2
MolecularWeight
168.2328
MdlNumber
MFCD00057698
Smiles
CC(=CC1C(C1(C)C)C(=O)O)C
NscNumber
11779
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
3.4
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CatalogNumber: AD80675
ChemicalName: Chrysanthemic acid
CasNumber: 10453-89-1
MolecularFormula: C10H16O2
MolecularWeight: 168.2328
MdlNumber: MFCD00057698
Smiles: CC(=CC1C(C1(C)C)C(=O)O)C
NscNumber: 11779
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 3.4
CatalogNumber:
AD80675
ChemicalName:
Chrysanthemic acid
CasNumber:
10453-89-1
MolecularFormula:
C10H16O2
MolecularWeight:
168.2328
MdlNumber:
MFCD00057698
Smiles:
CC(=CC1C(C1(C)C)C(=O)O)C
NscNumber:
11779
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C[C@H]1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=C[C@H]1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(CC(=C)C(=O)OCC(F)(F)F)OCC(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(CC(=C)C(=O)OCC(F)(F)F)OCC(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1COCC1.Cc1ccc(cc1)S(=O)(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1COCC1.Cc1ccc(cc1)S(=O)(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__