AB75682
829-45-8 | Methyl 3-oxo-3-(pyridin-4-yl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AB75682
ChemicalName
Methyl 3-oxo-3-(pyridin-4-yl)propanoate
CasNumber
829-45-8
MolecularFormula
C9H9NO3
MolecularWeight
179.17265999999998
MdlNumber
MFCD00466380
Smiles
COC(=O)CC(=O)c1ccncc1
Complexity
197
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB75682
ChemicalName: Methyl 3-oxo-3-(pyridin-4-yl)propanoate
CasNumber: 829-45-8
MolecularFormula: C9H9NO3
MolecularWeight: 179.17265999999998
MdlNumber: MFCD00466380
Smiles: COC(=O)CC(=O)c1ccncc1
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB75682
ChemicalName:
Methyl 3-oxo-3-(pyridin-4-yl)propanoate
CasNumber:
829-45-8
MolecularFormula:
C9H9NO3
MolecularWeight:
179.17265999999998
MdlNumber:
MFCD00466380
Smiles:
COC(=O)CC(=O)c1ccncc1
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1ocnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1ocnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1cccc(n1)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1cccc(n1)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75685
ChemicalName: Methyl 3-(boc-amino)-3-(3-hydroxyphenyl)propanoate
CasNumber: 1423134-61-5
MolecularFormula: C15H21NO5
MolecularWeight: 295.3309
MdlNumber: MFCD27935388
Smiles: COC(=O)CC(c1cccc(c1)O)NC(=O)OC(C)(C)C
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 1.9
CatalogNumber:
AB75685
ChemicalName:
Methyl 3-(boc-amino)-3-(3-hydroxyphenyl)propanoate
CasNumber:
1423134-61-5
MolecularFormula:
C15H21NO5
MolecularWeight:
295.3309
MdlNumber:
MFCD27935388
Smiles:
COC(=O)CC(c1cccc(c1)O)NC(=O)OC(C)(C)C
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
1.9