AG66507
5773-58-0 | 3-Methyl-4-piperidone
Manufacturer: A2B Chem
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CatalogNumber
AG66507
ChemicalName
3-Methyl-4-piperidone
CasNumber
5773-58-0
MolecularFormula
C6H11NO
MolecularWeight
113.1576
MdlNumber
MFCD07787596
Smiles
O=C1CCNCC1C
Complexity
101
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AG66507
ChemicalName: 3-Methyl-4-piperidone
CasNumber: 5773-58-0
MolecularFormula: C6H11NO
MolecularWeight: 113.1576
MdlNumber: MFCD07787596
Smiles: O=C1CCNCC1C
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AG66507
ChemicalName:
3-Methyl-4-piperidone
CasNumber:
5773-58-0
MolecularFormula:
C6H11NO
MolecularWeight:
113.1576
MdlNumber:
MFCD07787596
Smiles:
O=C1CCNCC1C
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
CatalogNumber: AG66508
ChemicalName: 1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
CasNumber: 59937-28-9
MolecularFormula: C12H16O4S2
MolecularWeight: 288.383
MdlNumber: MFCD00867646
Smiles: CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.8
CatalogNumber:
AG66508
ChemicalName:
1,3-bis(propan-2-yl) 2-(2H-1,3-dithiol-2-ylidene)propanedioate
CasNumber:
59937-28-9
MolecularFormula:
C12H16O4S2
MolecularWeight:
288.383
MdlNumber:
MFCD00867646
Smiles:
CC(OC(=O)C(=C1SC=CS1)C(=O)OC(C)C)C
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cnc(s1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cnc(s1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C(=C1/CCOC(=O)S1)/N(C=O)Cc1cnc([nH]c1=N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C(=C1/CCOC(=O)S1)/N(C=O)Cc1cnc([nH]c1=N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__