AA46612
13205-48-6 | 4-(Methylthio)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA46612
ChemicalName
4-(Methylthio)benzoic acid
CasNumber
13205-48-6
MolecularFormula
C8H8O2S
MolecularWeight
168.2129
MdlNumber
MFCD00002555
Smiles
CSc1ccc(cc1)C(=O)O
NscNumber
400301
Complexity
139
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AA46612
ChemicalName: 4-(Methylthio)benzoic acid
CasNumber: 13205-48-6
MolecularFormula: C8H8O2S
MolecularWeight: 168.2129
MdlNumber: MFCD00002555
Smiles: CSc1ccc(cc1)C(=O)O
NscNumber: 400301
Complexity: 139
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AA46612
ChemicalName:
4-(Methylthio)benzoic acid
CasNumber:
13205-48-6
MolecularFormula:
C8H8O2S
MolecularWeight:
168.2129
MdlNumber:
MFCD00002555
Smiles:
CSc1ccc(cc1)C(=O)O
NscNumber:
400301
Complexity:
139
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)OC(C)(C)C
NscNumber: __
Complexity: 197
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)OC(C)(C)C
NscNumber:
__
Complexity:
197
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AA46614
ChemicalName: 4-Isopropoxybenzoic acid
CasNumber: 13205-46-4
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD00044318
Smiles: CC(Oc1ccc(cc1)C(=O)O)C
NscNumber: 16646
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AA46614
ChemicalName:
4-Isopropoxybenzoic acid
CasNumber:
13205-46-4
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD00044318
Smiles:
CC(Oc1ccc(cc1)C(=O)O)C
NscNumber:
16646
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1O)C(c1ccccc1)(C)C)(c1ccccc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1O)C(c1ccccc1)(C)C)(c1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__