AB44115
107-36-8 | 2-Hydroxyethanesulphonic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44115
ChemicalName
2-Hydroxyethanesulphonic acid
CasNumber
107-36-8
MolecularFormula
C2H6O4S
MolecularWeight
126.1316
MdlNumber
MFCD00242599
Smiles
OCCS(=O)(=O)O
NscNumber
60516
Complexity
117
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-1.6
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CatalogNumber: AB44115
ChemicalName: 2-Hydroxyethanesulphonic acid
CasNumber: 107-36-8
MolecularFormula: C2H6O4S
MolecularWeight: 126.1316
MdlNumber: MFCD00242599
Smiles: OCCS(=O)(=O)O
NscNumber: 60516
Complexity: 117
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -1.6
CatalogNumber:
AB44115
ChemicalName:
2-Hydroxyethanesulphonic acid
CasNumber:
107-36-8
MolecularFormula:
C2H6O4S
MolecularWeight:
126.1316
MdlNumber:
MFCD00242599
Smiles:
OCCS(=O)(=O)O
NscNumber:
60516
Complexity:
117
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-1.6
CatalogNumber: AB44116
ChemicalName: 2-Hydroxyethyl carbamate
CasNumber: 5395-01-7
MolecularFormula: C3H7NO3
MolecularWeight: 105.0926
MdlNumber: MFCD01738425
Smiles: NC(=O)OCCO
NscNumber: 3139
Complexity: 63.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.1
CatalogNumber:
AB44116
ChemicalName:
2-Hydroxyethyl carbamate
CasNumber:
5395-01-7
MolecularFormula:
C3H7NO3
MolecularWeight:
105.0926
MdlNumber:
MFCD01738425
Smiles:
NC(=O)OCCO
NscNumber:
3139
Complexity:
63.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.1
CatalogNumber: AB44117
ChemicalName: 2-Oxo-1,2-dihydropyridine-4-carboxylic acid
CasNumber: 22282-72-0
MolecularFormula: C6H5NO3
MolecularWeight: 139.1088
MdlNumber: MFCD01318566
Smiles: Oc1nccc(c1)C(=O)O
NscNumber: 132888
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AB44117
ChemicalName:
2-Oxo-1,2-dihydropyridine-4-carboxylic acid
CasNumber:
22282-72-0
MolecularFormula:
C6H5NO3
MolecularWeight:
139.1088
MdlNumber:
MFCD01318566
Smiles:
Oc1nccc(c1)C(=O)O
NscNumber:
132888
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.5
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Smiles: OCC1COCCOCCOCCOCCO1
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Complexity: __
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Smiles:
OCC1COCCOCCOCCOCCO1
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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