AB85566
89-56-5 | 5-Methylsalicylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB85566
ChemicalName
5-Methylsalicylic acid
CasNumber
89-56-5
MolecularFormula
C8H8O3
MolecularWeight
152.14731999999998
MdlNumber
MFCD00002461
Smiles
Cc1ccc(c(c1)C(=O)O)O
NscNumber
38518
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AB85566
ChemicalName: 5-Methylsalicylic acid
CasNumber: 89-56-5
MolecularFormula: C8H8O3
MolecularWeight: 152.14731999999998
MdlNumber: MFCD00002461
Smiles: Cc1ccc(c(c1)C(=O)O)O
NscNumber: 38518
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AB85566
ChemicalName:
5-Methylsalicylic acid
CasNumber:
89-56-5
MolecularFormula:
C8H8O3
MolecularWeight:
152.14731999999998
MdlNumber:
MFCD00002461
Smiles:
Cc1ccc(c(c1)C(=O)O)O
NscNumber:
38518
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)c1[nH]cnc1C(=O)Nc1ccc(cc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)c1[nH]cnc1C(=O)Nc1ccc(cc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB85589
ChemicalName: 3-(4-Chlorophenyl)benzonitrile
CasNumber: 89346-59-8
MolecularFormula: C13H8ClN
MolecularWeight: 213.6623
MdlNumber: MFCD05980040
Smiles: N#Cc1cccc(c1)c1ccc(cc1)Cl
NscNumber: __
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AB85589
ChemicalName:
3-(4-Chlorophenyl)benzonitrile
CasNumber:
89346-59-8
MolecularFormula:
C13H8ClN
MolecularWeight:
213.6623
MdlNumber:
MFCD05980040
Smiles:
N#Cc1cccc(c1)c1ccc(cc1)Cl
NscNumber:
__
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)c1ccccc1Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)c1ccccc1Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__