AH99400
916159-85-8 | 8-(Cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AH99400
ChemicalName
8-(Cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CasNumber
916159-85-8
MolecularFormula
C13H19NO2
MolecularWeight
221.2955
MdlNumber
MFCD20265524
Smiles
N#CC1(CCC2(CC1)OCCO2)CC1CC1
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AH99400
ChemicalName: 8-(Cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CasNumber: 916159-85-8
MolecularFormula: C13H19NO2
MolecularWeight: 221.2955
MdlNumber: MFCD20265524
Smiles: N#CC1(CCC2(CC1)OCCO2)CC1CC1
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AH99400
ChemicalName:
8-(Cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CasNumber:
916159-85-8
MolecularFormula:
C13H19NO2
MolecularWeight:
221.2955
MdlNumber:
MFCD20265524
Smiles:
N#CC1(CCC2(CC1)OCCO2)CC1CC1
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: C1CC1CC2(CCC(=O)CC2)C#N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C1CC1CC2(CCC(=O)CC2)C#N
Complexity:
__
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC1=C(C=CC(=C1)C(=O)N(C)OC)OC
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Smiles:
CC1=C(C=CC(=C1)C(=O)N(C)OC)OC
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CC(c1ccc2c(c1)scn2)N
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HydrogenBondAcceptorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
CC(c1ccc2c(c1)scn2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__