AB45030
26978-64-3 | 4-Hydroxy-1-butanesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45030
ChemicalName
4-Hydroxy-1-butanesulfonic acid
CasNumber
26978-64-3
MolecularFormula
C4H10O4S
MolecularWeight
154.1848
MdlNumber
MFCD28130072
Smiles
OCCCCS(=O)(=O)O
NscNumber
71873
Complexity
142
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-0.9
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CatalogNumber: AB45030
ChemicalName: 4-Hydroxy-1-butanesulfonic acid
CasNumber: 26978-64-3
MolecularFormula: C4H10O4S
MolecularWeight: 154.1848
MdlNumber: MFCD28130072
Smiles: OCCCCS(=O)(=O)O
NscNumber: 71873
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -0.9
CatalogNumber:
AB45030
ChemicalName:
4-Hydroxy-1-butanesulfonic acid
CasNumber:
26978-64-3
MolecularFormula:
C4H10O4S
MolecularWeight:
154.1848
MdlNumber:
MFCD28130072
Smiles:
OCCCCS(=O)(=O)O
NscNumber:
71873
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccc2c1c1ccccc1[nH]2
NscNumber: __
Complexity: 218
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccc2c1c1ccccc1[nH]2
NscNumber:
__
Complexity:
218
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: AB45032
ChemicalName: 4-Hydroxycoumarin
CasNumber: 1076-38-6
MolecularFormula: C9H6O3
MolecularWeight: 162.1421
MdlNumber: MFCD00006856
Smiles: O=c1cc(O)c2c(o1)cccc2
NscNumber: 11889
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AB45032
ChemicalName:
4-Hydroxycoumarin
CasNumber:
1076-38-6
MolecularFormula:
C9H6O3
MolecularWeight:
162.1421
MdlNumber:
MFCD00006856
Smiles:
O=c1cc(O)c2c(o1)cccc2
NscNumber:
11889
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCC(=O)CC1
NscNumber: __
Complexity: 88.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCC(=O)CC1
NscNumber:
__
Complexity:
88.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.2