AG18015
49763-96-4 | (1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
Manufacturer: A2B Chem
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CatalogNumber
AG18015
ChemicalName
(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
CasNumber
49763-96-4
MolecularFormula
C14H18O3
MolecularWeight
234.29091999999997
MdlNumber
MFCD00017192
Smiles
OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2
Complexity
280
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.6
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CatalogNumber: AG18015
ChemicalName: (1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
CasNumber: 49763-96-4
MolecularFormula: C14H18O3
MolecularWeight: 234.29091999999997
MdlNumber: MFCD00017192
Smiles: OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2
Complexity: 280
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.6
CatalogNumber:
AG18015
ChemicalName:
(1E)-1-(2H-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
CasNumber:
49763-96-4
MolecularFormula:
C14H18O3
MolecularWeight:
234.29091999999997
MdlNumber:
MFCD00017192
Smiles:
OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2
Complexity:
280
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.6
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Smiles: FC(C(C(c1n[nH]c(c1)c1ccccc1)(F)F)(F)F)(F)F
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Smiles:
FC(C(C(c1n[nH]c(c1)c1ccccc1)(F)F)(F)F)(F)F
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Smiles: O[C@H]1[C@@H]2OC[C@@H](O2)[C@H]2[C@@H]1OC(O2)(C)C
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Smiles:
O[C@H]1[C@@H]2OC[C@@H](O2)[C@H]2[C@@H]1OC(O2)(C)C
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__
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: COC(=O)CCCCCCCCC(C)C
Complexity: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)CCCCCCCCC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__