AI54105
632628-02-5 | 2-Hydroxy-5-(methylsulfonyl)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI54105
ChemicalName
2-Hydroxy-5-(methylsulfonyl)benzaldehyde
CasNumber
632628-02-5
MolecularFormula
C8H8O4S
MolecularWeight
200.2117
MdlNumber
MFCD13190322
Smiles
O=Cc1cc(ccc1O)S(=O)(=O)C
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AI54105
ChemicalName: 2-Hydroxy-5-(methylsulfonyl)benzaldehyde
CasNumber: 632628-02-5
MolecularFormula: C8H8O4S
MolecularWeight: 200.2117
MdlNumber: MFCD13190322
Smiles: O=Cc1cc(ccc1O)S(=O)(=O)C
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AI54105
ChemicalName:
2-Hydroxy-5-(methylsulfonyl)benzaldehyde
CasNumber:
632628-02-5
MolecularFormula:
C8H8O4S
MolecularWeight:
200.2117
MdlNumber:
MFCD13190322
Smiles:
O=Cc1cc(ccc1O)S(=O)(=O)C
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)N1CCc2c(C1)c1cc(C)ccc1[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI54107
ChemicalName: 3-(Benzyloxy)propanenitrile
CasNumber: 6328-48-9
MolecularFormula: C10H11NO
MolecularWeight: 161.2004
MdlNumber: MFCD00035701
Smiles: N#CCCOCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI54107
ChemicalName:
3-(Benzyloxy)propanenitrile
CasNumber:
6328-48-9
MolecularFormula:
C10H11NO
MolecularWeight:
161.2004
MdlNumber:
MFCD00035701
Smiles:
N#CCCOCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1.[Cl-].O.O
Complexity: 488
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1.[Cl-].O.O
Complexity:
488
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__