AB48746
6269-25-6 | 2-(Hydroxymethyl)-5-methoxy-4h-pyran-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB48746
ChemicalName
2-(Hydroxymethyl)-5-methoxy-4h-pyran-4-one
CasNumber
6269-25-6
MolecularFormula
C7H8O4
MolecularWeight
156.136
MdlNumber
MFCD00224874
Smiles
COc1coc(cc1=O)CO
NscNumber
34630
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.6
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CatalogNumber: AB48746
ChemicalName: 2-(Hydroxymethyl)-5-methoxy-4h-pyran-4-one
CasNumber: 6269-25-6
MolecularFormula: C7H8O4
MolecularWeight: 156.136
MdlNumber: MFCD00224874
Smiles: COc1coc(cc1=O)CO
NscNumber: 34630
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AB48746
ChemicalName:
2-(Hydroxymethyl)-5-methoxy-4h-pyran-4-one
CasNumber:
6269-25-6
MolecularFormula:
C7H8O4
MolecularWeight:
156.136
MdlNumber:
MFCD00224874
Smiles:
COc1coc(cc1=O)CO
NscNumber:
34630
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: AB48747
ChemicalName: 5-Bromo-1,2,3,4-tetrahydro-isoquinoline, HCl
CasNumber: 923591-51-9
MolecularFormula: C9H11BrClN
MolecularWeight: 248.5473
MdlNumber: MFCD05861550
Smiles: Brc1cccc2c1CCNC2.Cl
NscNumber: __
Complexity: 138
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB48747
ChemicalName:
5-Bromo-1,2,3,4-tetrahydro-isoquinoline, HCl
CasNumber:
923591-51-9
MolecularFormula:
C9H11BrClN
MolecularWeight:
248.5473
MdlNumber:
MFCD05861550
Smiles:
Brc1cccc2c1CCNC2.Cl
NscNumber:
__
Complexity:
138
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)N[C@@H](CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)C1=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(c(c2)S(=O)(=O)C(F)(F)F)N[C@@H](CSc2ccccc2)CCN2CCOCC2)CC(CC1)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1[C@H](C)CCC1=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1[C@H](C)CCC1=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__