AA95526
180287-02-9 | Methyl 2-fluoro-3-oxopentanoate
Manufacturer: A2B Chem
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CatalogNumber
AA95526
ChemicalName
Methyl 2-fluoro-3-oxopentanoate
CasNumber
180287-02-9
MolecularFormula
C6H9FO3
MolecularWeight
148.1323
MdlNumber
MFCD00792442
Smiles
CCC(=O)C(C(=O)OC)F
Complexity
144
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AA95526
ChemicalName: Methyl 2-fluoro-3-oxopentanoate
CasNumber: 180287-02-9
MolecularFormula: C6H9FO3
MolecularWeight: 148.1323
MdlNumber: MFCD00792442
Smiles: CCC(=O)C(C(=O)OC)F
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AA95526
ChemicalName:
Methyl 2-fluoro-3-oxopentanoate
CasNumber:
180287-02-9
MolecularFormula:
C6H9FO3
MolecularWeight:
148.1323
MdlNumber:
MFCD00792442
Smiles:
CCC(=O)C(C(=O)OC)F
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CNC[C@H](N1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CNC[C@H](N1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ncc(c(n1)C)C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ncc(c(n1)C)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA95530
ChemicalName: 2-Dimethylamino-pyrimidine-5-carboxylic acid
CasNumber: 180283-66-3
MolecularFormula: C7H9N3O2
MolecularWeight: 167.1653
MdlNumber: MFCD06589846
Smiles: CN(c1ncc(cn1)C(=O)O)C
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.2
CatalogNumber:
AA95530
ChemicalName:
2-Dimethylamino-pyrimidine-5-carboxylic acid
CasNumber:
180283-66-3
MolecularFormula:
C7H9N3O2
MolecularWeight:
167.1653
MdlNumber:
MFCD06589846
Smiles:
CN(c1ncc(cn1)C(=O)O)C
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.2