AH12972
6668-24-2 | 2-Methyl-1-phenylbutane-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AH12972
ChemicalName
2-Methyl-1-phenylbutane-1,3-dione
CasNumber
6668-24-2
MolecularFormula
C11H12O2
MolecularWeight
176.2118
MdlNumber
MFCD09033549
Smiles
CC(C(=O)c1ccccc1)C(=O)C
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AH12972
ChemicalName: 2-Methyl-1-phenylbutane-1,3-dione
CasNumber: 6668-24-2
MolecularFormula: C11H12O2
MolecularWeight: 176.2118
MdlNumber: MFCD09033549
Smiles: CC(C(=O)c1ccccc1)C(=O)C
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AH12972
ChemicalName:
2-Methyl-1-phenylbutane-1,3-dione
CasNumber:
6668-24-2
MolecularFormula:
C11H12O2
MolecularWeight:
176.2118
MdlNumber:
MFCD09033549
Smiles:
CC(C(=O)c1ccccc1)C(=O)C
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1ccc(cc1)SC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1ccc(cc1)SC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AH12974
ChemicalName: 1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid
CasNumber: 691363-31-2
MolecularFormula: C9H9N3O2
MolecularWeight: 191.1867
MdlNumber: MFCD05270868
Smiles: CCn1nnc2c1ccc(c2)C(=O)O
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AH12974
ChemicalName:
1-Ethyl-1h-1,2,3-benzotriazole-5-carboxylic acid
CasNumber:
691363-31-2
MolecularFormula:
C9H9N3O2
MolecularWeight:
191.1867
MdlNumber:
MFCD05270868
Smiles:
CCn1nnc2c1ccc(c2)C(=O)O
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__