AB49319
3322-70-1 | 2,2,5,5-Tetrakis(hydroxymethyl)cyclopentanone
Manufacturer: A2B Chem
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CatalogNumber
AB49319
ChemicalName
2,2,5,5-Tetrakis(hydroxymethyl)cyclopentanone
CasNumber
3322-70-1
MolecularFormula
C9H16O5
MolecularWeight
204.2203
MdlNumber
MFCD11616319
Smiles
OCC1(CO)CCC(C1=O)(CO)CO
NscNumber
35837
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
-2.1
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CatalogNumber: AB49319
ChemicalName: 2,2,5,5-Tetrakis(hydroxymethyl)cyclopentanone
CasNumber: 3322-70-1
MolecularFormula: C9H16O5
MolecularWeight: 204.2203
MdlNumber: MFCD11616319
Smiles: OCC1(CO)CCC(C1=O)(CO)CO
NscNumber: 35837
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: -2.1
CatalogNumber:
AB49319
ChemicalName:
2,2,5,5-Tetrakis(hydroxymethyl)cyclopentanone
CasNumber:
3322-70-1
MolecularFormula:
C9H16O5
MolecularWeight:
204.2203
MdlNumber:
MFCD11616319
Smiles:
OCC1(CO)CCC(C1=O)(CO)CO
NscNumber:
35837
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
-2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCS(=O)(=O)C1.Cl
NscNumber: __
Complexity: 167
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCS(=O)(=O)C1.Cl
NscNumber:
__
Complexity:
167
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H](c1ccc(cc1)Cl)C(=O)O
NscNumber: __
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H](c1ccc(cc1)Cl)C(=O)O
NscNumber:
__
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2