AB59009
383135-47-5 | 2-[4-(Ethanesulfonyl)phenyl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB59009
ChemicalName
2-[4-(Ethanesulfonyl)phenyl]acetic acid
CasNumber
383135-47-5
MolecularFormula
C10H12O4S
MolecularWeight
228.2649
MdlNumber
MFCD02664818
Smiles
CCS(=O)(=O)c1ccc(cc1)CC(=O)O
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AB59009
ChemicalName: 2-[4-(Ethanesulfonyl)phenyl]acetic acid
CasNumber: 383135-47-5
MolecularFormula: C10H12O4S
MolecularWeight: 228.2649
MdlNumber: MFCD02664818
Smiles: CCS(=O)(=O)c1ccc(cc1)CC(=O)O
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB59009
ChemicalName:
2-[4-(Ethanesulfonyl)phenyl]acetic acid
CasNumber:
383135-47-5
MolecularFormula:
C10H12O4S
MolecularWeight:
228.2649
MdlNumber:
MFCD02664818
Smiles:
CCS(=O)(=O)c1ccc(cc1)CC(=O)O
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)COC(=N1)c1ccc2c(n1)cccc2
Complexity: 324
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)COC(=N1)c1ccc2c(n1)cccc2
Complexity:
324
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: AB59011
ChemicalName: 4,4-Dimethylcyclohexa-1,5-dienylboronic acid pinacol ester
CasNumber: 871333-97-0
MolecularFormula: C14H23BO2
MolecularWeight: 234.1422
MdlNumber: MFCD07363842
Smiles: CC1(C)CC=C(C=C1)B1OC(C(O1)(C)C)(C)C
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB59011
ChemicalName:
4,4-Dimethylcyclohexa-1,5-dienylboronic acid pinacol ester
CasNumber:
871333-97-0
MolecularFormula:
C14H23BO2
MolecularWeight:
234.1422
MdlNumber:
MFCD07363842
Smiles:
CC1(C)CC=C(C=C1)B1OC(C(O1)(C)C)(C)C
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN1CCC=N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN1CCC=N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__