AA73104
14510-36-2 | 3-Acetoxy-2-phenylpropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA73104
ChemicalName
3-Acetoxy-2-phenylpropanoic acid
CasNumber
14510-36-2
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD09750984
Smiles
OC(=O)C(c1ccccc1)COC(=O)C
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AA73104
ChemicalName: 3-Acetoxy-2-phenylpropanoic acid
CasNumber: 14510-36-2
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD09750984
Smiles: OC(=O)C(c1ccccc1)COC(=O)C
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AA73104
ChemicalName:
3-Acetoxy-2-phenylpropanoic acid
CasNumber:
14510-36-2
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD09750984
Smiles:
OC(=O)C(c1ccccc1)COC(=O)C
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)N[C@H](C(=O)O)CSCCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)N[C@H](C(=O)O)CSCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA73107
ChemicalName: 8-Hydroxyquinoline-2-carboxaldehyde
CasNumber: 14510-06-6
MolecularFormula: C10H7NO2
MolecularWeight: 173.1681
MdlNumber: MFCD00168962
Smiles: O=Cc1ccc2c(n1)c(O)ccc2
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AA73107
ChemicalName:
8-Hydroxyquinoline-2-carboxaldehyde
CasNumber:
14510-06-6
MolecularFormula:
C10H7NO2
MolecularWeight:
173.1681
MdlNumber:
MFCD00168962
Smiles:
O=Cc1ccc2c(n1)c(O)ccc2
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: AA73108
ChemicalName: 7,8-Dihydroimidazo[1,5-c]pyrimidin-5(6H)-one
CasNumber: 14509-66-1
MolecularFormula: C6H7N3O
MolecularWeight: 137.1393
MdlNumber: MFCD01443896
Smiles: O=C1NCCc2n1cnc2
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.2
CatalogNumber:
AA73108
ChemicalName:
7,8-Dihydroimidazo[1,5-c]pyrimidin-5(6H)-one
CasNumber:
14509-66-1
MolecularFormula:
C6H7N3O
MolecularWeight:
137.1393
MdlNumber:
MFCD01443896
Smiles:
O=C1NCCc2n1cnc2
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.2