AA69535
1421-63-2 | 2,4,5-Trihydroxybutyrophenone
Manufacturer: A2B Chem
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CatalogNumber
AA69535
ChemicalName
2,4,5-Trihydroxybutyrophenone
CasNumber
1421-63-2
MolecularFormula
C10H12O4
MolecularWeight
196.1999
MdlNumber
MFCD00020019
Smiles
CCCC(=O)c1cc(O)c(cc1O)O
NscNumber
73478
Complexity
204
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AA69535
ChemicalName: 2,4,5-Trihydroxybutyrophenone
CasNumber: 1421-63-2
MolecularFormula: C10H12O4
MolecularWeight: 196.1999
MdlNumber: MFCD00020019
Smiles: CCCC(=O)c1cc(O)c(cc1O)O
NscNumber: 73478
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AA69535
ChemicalName:
2,4,5-Trihydroxybutyrophenone
CasNumber:
1421-63-2
MolecularFormula:
C10H12O4
MolecularWeight:
196.1999
MdlNumber:
MFCD00020019
Smiles:
CCCC(=O)c1cc(O)c(cc1O)O
NscNumber:
73478
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AA69536
ChemicalName: 3,3-Dimethyl-4-methoxypiperidine
CasNumber: 1421254-87-6
MolecularFormula: C8H17NO
MolecularWeight: 143.2267
MdlNumber: MFCD27987023
Smiles: COC1CCNCC1(C)C
NscNumber: __
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AA69536
ChemicalName:
3,3-Dimethyl-4-methoxypiperidine
CasNumber:
1421254-87-6
MolecularFormula:
C8H17NO
MolecularWeight:
143.2267
MdlNumber:
MFCD27987023
Smiles:
COC1CCNCC1(C)C
NscNumber:
__
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO[C@@H]1C[C@@H]2CC[C@H](C1)N2.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO[C@@H]1C[C@@H]2CC[C@H](C1)N2.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1CC2CCC(C1)N2c1nc(Cl)nc2c1CN(CC2)c1cc(ccc1C)C(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1CC2CCC(C1)N2c1nc(Cl)nc2c1CN(CC2)c1cc(ccc1C)C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__