AA75305
150019-57-1 | 4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AA75305
ChemicalName
4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone
CasNumber
150019-57-1
MolecularFormula
C13H14O4
MolecularWeight
234.2479
MdlNumber
MFCD09800394
Smiles
O=C1CCC(CC1)(O)c1ccc2c(c1)OCO2
Complexity
305
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA75305
ChemicalName: 4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone
CasNumber: 150019-57-1
MolecularFormula: C13H14O4
MolecularWeight: 234.2479
MdlNumber: MFCD09800394
Smiles: O=C1CCC(CC1)(O)c1ccc2c(c1)OCO2
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA75305
ChemicalName:
4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone
CasNumber:
150019-57-1
MolecularFormula:
C13H14O4
MolecularWeight:
234.2479
MdlNumber:
MFCD09800394
Smiles:
O=C1CCC(CC1)(O)c1ccc2c(c1)OCO2
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC1(CCC2(CC1)OCCO2)c1ccc2c(c1)OCO2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
OC1(CCC2(CC1)OCCO2)c1ccc2c(c1)OCO2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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ChemicalName: __
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Smiles: N#CC1(O)CCCN(C1)Cc1ccccc1
Complexity: __
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Xlogp3: __
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Smiles:
N#CC1(O)CCCN(C1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: COC(=O)c1cnn(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cnn(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__