AF30450
258273-31-3 | 3-Cyano-4-isopropoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF30450
ChemicalName
3-Cyano-4-isopropoxybenzoic acid
CasNumber
258273-31-3
MolecularFormula
C11H11NO3
MolecularWeight
205.2099
MdlNumber
MFCD09271830
Smiles
N#Cc1cc(ccc1OC(C)C)C(=O)O
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AF30450
ChemicalName: 3-Cyano-4-isopropoxybenzoic acid
CasNumber: 258273-31-3
MolecularFormula: C11H11NO3
MolecularWeight: 205.2099
MdlNumber: MFCD09271830
Smiles: N#Cc1cc(ccc1OC(C)C)C(=O)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AF30450
ChemicalName:
3-Cyano-4-isopropoxybenzoic acid
CasNumber:
258273-31-3
MolecularFormula:
C11H11NO3
MolecularWeight:
205.2099
MdlNumber:
MFCD09271830
Smiles:
N#Cc1cc(ccc1OC(C)C)C(=O)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cnc(nc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cnc(nc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1sc(cc1O)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1sc(cc1O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF30453
ChemicalName: (R)-Cyclohexylhydroxyphenylacetic acid
CasNumber: 20585-39-1
MolecularFormula: C14H18O3
MolecularWeight: 234.2909
MdlNumber: MFCD09753427
Smiles: OC(=O)[C@](c1ccccc1)(C1CCCCC1)O
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AF30453
ChemicalName:
(R)-Cyclohexylhydroxyphenylacetic acid
CasNumber:
20585-39-1
MolecularFormula:
C14H18O3
MolecularWeight:
234.2909
MdlNumber:
MFCD09753427
Smiles:
OC(=O)[C@](c1ccccc1)(C1CCCCC1)O
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3