AB54443
40248-63-3 | (-)-Menthoxyacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB54443
ChemicalName
(-)-Menthoxyacetic acid
CasNumber
40248-63-3
MolecularFormula
C12H22O3
MolecularWeight
214.30128000000002
MdlNumber
MFCD00001483
Smiles
C[C@@H]1CC[C@H]([C@H](C1)OCC(=O)O)C(C)C
NscNumber
43708
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
3
Xlogp3
3.2
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CatalogNumber: AB54443
ChemicalName: (-)-Menthoxyacetic acid
CasNumber: 40248-63-3
MolecularFormula: C12H22O3
MolecularWeight: 214.30128000000002
MdlNumber: MFCD00001483
Smiles: C[C@@H]1CC[C@H]([C@H](C1)OCC(=O)O)C(C)C
NscNumber: 43708
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 3
Xlogp3: 3.2
CatalogNumber:
AB54443
ChemicalName:
(-)-Menthoxyacetic acid
CasNumber:
40248-63-3
MolecularFormula:
C12H22O3
MolecularWeight:
214.30128000000002
MdlNumber:
MFCD00001483
Smiles:
C[C@@H]1CC[C@H]([C@H](C1)OCC(=O)O)C(C)C
NscNumber:
43708
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H](Cl)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:
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MdlNumber:
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Smiles:
COC(=O)[C@@H](Cl)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)[C@H]2CC[C@]1(C)[C@H]1[C@@H]2C[C@@H](O1)O[C@H]1C[C@H]2[C@@H](O1)[C@@]1(C([C@H]2CC1)(C)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)[C@H]2CC[C@]1(C)[C@H]1[C@@H]2C[C@@H](O1)O[C@H]1C[C@H]2[C@@H](O1)[C@@]1(C([C@H]2CC1)(C)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC[C@@H](C=C1)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC[C@@H](C=C1)C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__