AD51031
33704-61-9 | 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-one
Manufacturer: A2B Chem
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CatalogNumber
AD51031
ChemicalName
1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-one
CasNumber
33704-61-9
MolecularFormula
C14H22O
MolecularWeight
206.3239
MdlNumber
MFCD00216987
Smiles
O=C1CCCC2=C1C(C)(C)C(C2(C)C)C
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
3.3
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CatalogNumber: AD51031
ChemicalName: 1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-one
CasNumber: 33704-61-9
MolecularFormula: C14H22O
MolecularWeight: 206.3239
MdlNumber: MFCD00216987
Smiles: O=C1CCCC2=C1C(C)(C)C(C2(C)C)C
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.3
CatalogNumber:
AD51031
ChemicalName:
1,1,2,3,3-pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-one
CasNumber:
33704-61-9
MolecularFormula:
C14H22O
MolecularWeight:
206.3239
MdlNumber:
MFCD00216987
Smiles:
O=C1CCCC2=C1C(C)(C)C(C2(C)C)C
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.3
CatalogNumber: __
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Smiles: O=C1CCC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
O=C1CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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Smiles: OC(=O)[C@@H](c1ccc(cc1)[N+](=O)[O-])N
Complexity: __
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HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](c1ccc(cc1)[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__