AB42583
3112-46-7 | Mesitylglyoxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB42583
ChemicalName
Mesitylglyoxylic acid
CasNumber
3112-46-7
MolecularFormula
C11H12O3
MolecularWeight
192.2112
MdlNumber
MFCD00151834
Smiles
Cc1cc(C)c(c(c1)C)C(=O)C(=O)O
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB42583
ChemicalName: Mesitylglyoxylic acid
CasNumber: 3112-46-7
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD00151834
Smiles: Cc1cc(C)c(c(c1)C)C(=O)C(=O)O
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB42583
ChemicalName:
Mesitylglyoxylic acid
CasNumber:
3112-46-7
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD00151834
Smiles:
Cc1cc(C)c(c(c1)C)C(=O)C(=O)O
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1[nH]nc(c1)C(=O)O
Complexity: 193
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1[nH]nc(c1)C(=O)O
Complexity:
193
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: AB42586
ChemicalName: 3-Acetylbiphenyl
CasNumber: 3112-01-4
MolecularFormula: C14H12O
MolecularWeight: 196.2445
MdlNumber: MFCD00048220
Smiles: CC(=O)c1cccc(c1)c1ccccc1
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AB42586
ChemicalName:
3-Acetylbiphenyl
CasNumber:
3112-01-4
MolecularFormula:
C14H12O
MolecularWeight:
196.2445
MdlNumber:
MFCD00048220
Smiles:
CC(=O)c1cccc(c1)c1ccccc1
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCOCCOCCOCCOCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCOCCOCCOCCOCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__