AI08047
109959-44-6 | (3-Hydroxy-2-pentylcyclopentyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI08047
ChemicalName
(3-Hydroxy-2-pentylcyclopentyl)acetic acid
CasNumber
109959-44-6
MolecularFormula
C12H22O3
MolecularWeight
214.3013
MdlNumber
MFCD24483167
Smiles
CCCCCC1C(O)CCC1CC(=O)O
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
3
Xlogp3
2.6
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CatalogNumber: AI08047
ChemicalName: (3-Hydroxy-2-pentylcyclopentyl)acetic acid
CasNumber: 109959-44-6
MolecularFormula: C12H22O3
MolecularWeight: 214.3013
MdlNumber: MFCD24483167
Smiles: CCCCCC1C(O)CCC1CC(=O)O
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 3
Xlogp3: 2.6
CatalogNumber:
AI08047
ChemicalName:
(3-Hydroxy-2-pentylcyclopentyl)acetic acid
CasNumber:
109959-44-6
MolecularFormula:
C12H22O3
MolecularWeight:
214.3013
MdlNumber:
MFCD24483167
Smiles:
CCCCCC1C(O)CCC1CC(=O)O
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
3
Xlogp3:
2.6
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Smiles: Fc1cncc(c1)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
Fc1cncc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: Clc1nc(Cl)c(cc1C(F)(F)F)F
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
Clc1nc(Cl)c(cc1C(F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)CCN1CC(C)CC(C1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)CCN1CC(C)CC(C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__