AB44113
118-61-6 | Ethyl salicylate
Manufacturer: A2B Chem
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CatalogNumber
AB44113
ChemicalName
Ethyl salicylate
CasNumber
118-61-6
MolecularFormula
C9H10O3
MolecularWeight
166.1739
MdlNumber
MFCD00002215
Smiles
CCOC(=O)c1ccccc1O
NscNumber
8209
Complexity
156
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AB44113
ChemicalName: Ethyl salicylate
CasNumber: 118-61-6
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00002215
Smiles: CCOC(=O)c1ccccc1O
NscNumber: 8209
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AB44113
ChemicalName:
Ethyl salicylate
CasNumber:
118-61-6
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00002215
Smiles:
CCOC(=O)c1ccccc1O
NscNumber:
8209
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AB44114
ChemicalName: 2'-Hydroxychalcone
CasNumber: 1214-47-7
MolecularFormula: C15H12O2
MolecularWeight: 224.2546
MdlNumber: MFCD00016441
Smiles: O=C(c1ccccc1O)/C=C/c1ccccc1
NscNumber: __
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AB44114
ChemicalName:
2'-Hydroxychalcone
CasNumber:
1214-47-7
MolecularFormula:
C15H12O2
MolecularWeight:
224.2546
MdlNumber:
MFCD00016441
Smiles:
O=C(c1ccccc1O)/C=C/c1ccccc1
NscNumber:
__
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.9
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