AB51047
480-63-7 | 2,4,6-Trimethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51047
ChemicalName
2,4,6-Trimethylbenzoic acid
CasNumber
480-63-7
MolecularFormula
C10H12O2
MolecularWeight
164.2011
MdlNumber
MFCD00002481
Smiles
OC(=O)c1c(C)cc(cc1C)C
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AB51047
ChemicalName: 2,4,6-Trimethylbenzoic acid
CasNumber: 480-63-7
MolecularFormula: C10H12O2
MolecularWeight: 164.2011
MdlNumber: MFCD00002481
Smiles: OC(=O)c1c(C)cc(cc1C)C
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AB51047
ChemicalName:
2,4,6-Trimethylbenzoic acid
CasNumber:
480-63-7
MolecularFormula:
C10H12O2
MolecularWeight:
164.2011
MdlNumber:
MFCD00002481
Smiles:
OC(=O)c1c(C)cc(cc1C)C
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC[C@H](O)C
Complexity: 28.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC[C@H](O)C
Complexity:
28.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2
CatalogNumber: AB51049
ChemicalName: Dimethyl pyridine-3,5-dicarboxylate
CasNumber: 4591-55-3
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00518827
Smiles: COC(=O)c1cncc(c1)C(=O)OC
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB51049
ChemicalName:
Dimethyl pyridine-3,5-dicarboxylate
CasNumber:
4591-55-3
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00518827
Smiles:
COC(=O)c1cncc(c1)C(=O)OC
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB51050
ChemicalName: Fmoc-(r)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber: 479064-92-1
MolecularFormula: C24H20ClNO4
MolecularWeight: 421.8729
MdlNumber: MFCD03428036
Smiles: OC(=O)C[C@H](c1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 584
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 4.7
CatalogNumber:
AB51050
ChemicalName:
Fmoc-(r)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber:
479064-92-1
MolecularFormula:
C24H20ClNO4
MolecularWeight:
421.8729
MdlNumber:
MFCD03428036
Smiles:
OC(=O)C[C@H](c1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
584
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
4.7