AI55430
71965-05-4 | 3-(2-Methylphenyl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AI55430
ChemicalName
3-(2-Methylphenyl)phenol
CasNumber
71965-05-4
MolecularFormula
C13H12O
MolecularWeight
184.2338
MdlNumber
MFCD06802319
Smiles
Oc1cccc(c1)c1ccccc1C
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.6
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CatalogNumber: AI55430
ChemicalName: 3-(2-Methylphenyl)phenol
CasNumber: 71965-05-4
MolecularFormula: C13H12O
MolecularWeight: 184.2338
MdlNumber: MFCD06802319
Smiles: Oc1cccc(c1)c1ccccc1C
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AI55430
ChemicalName:
3-(2-Methylphenyl)phenol
CasNumber:
71965-05-4
MolecularFormula:
C13H12O
MolecularWeight:
184.2338
MdlNumber:
MFCD06802319
Smiles:
Oc1cccc(c1)c1ccccc1C
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSCCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity: 478
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSCCC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Complexity:
478
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)Cc1ccc(cc1)OCc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity: 722
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)OCc1ccccc1)OCC1c2ccccc2-c2c1cccc2
Complexity:
722
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.1
CatalogNumber: AI55433
ChemicalName: Alizarin
CasNumber: 72-48-0
MolecularFormula: C14H8O4
MolecularWeight: 240.2109
MdlNumber: MFCD00001201
Smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
Complexity: 378
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AI55433
ChemicalName:
Alizarin
CasNumber:
72-48-0
MolecularFormula:
C14H8O4
MolecularWeight:
240.2109
MdlNumber:
MFCD00001201
Smiles:
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
Complexity:
378
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
3.2