AF57625
3894-09-5 | Cyclohexylphenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AF57625
ChemicalName
Cyclohexylphenylacetic acid
CasNumber
3894-09-5
MolecularFormula
C14H18O2
MolecularWeight
218.29152000000013
MdlNumber
MFCD00001477
Smiles
OC(=O)C(c1ccccc1)C1CCCCC1
NscNumber
60418
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
4.2
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CatalogNumber: AF57625
ChemicalName: Cyclohexylphenylacetic acid
CasNumber: 3894-09-5
MolecularFormula: C14H18O2
MolecularWeight: 218.29152000000013
MdlNumber: MFCD00001477
Smiles: OC(=O)C(c1ccccc1)C1CCCCC1
NscNumber: 60418
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AF57625
ChemicalName:
Cyclohexylphenylacetic acid
CasNumber:
3894-09-5
MolecularFormula:
C14H18O2
MolecularWeight:
218.29152000000013
MdlNumber:
MFCD00001477
Smiles:
OC(=O)C(c1ccccc1)C1CCCCC1
NscNumber:
60418
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCSc2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCSc2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][Cl](=O)(=O)=O.Nc1ccc2c(c1)[o+]c1c(n2)c2ccccc2c(c1)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][Cl](=O)(=O)=O.Nc1ccc2c(c1)[o+]c1c(n2)c2ccccc2c(c1)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AF57628
ChemicalName: 3-(Isopropoxycarbonyl)phenylboronic acid
CasNumber: 342002-80-6
MolecularFormula: C10H13BO4
MolecularWeight: 208.0188
MdlNumber: MFCD02093047
Smiles: CC(OC(=O)c1cccc(c1)B(O)O)C
NscNumber: __
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AF57628
ChemicalName:
3-(Isopropoxycarbonyl)phenylboronic acid
CasNumber:
342002-80-6
MolecularFormula:
C10H13BO4
MolecularWeight:
208.0188
MdlNumber:
MFCD02093047
Smiles:
CC(OC(=O)c1cccc(c1)B(O)O)C
NscNumber:
__
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
__