AB46065
623-72-3 | Ethyl 3-hydroxypropanoate
Manufacturer: A2B Chem
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CatalogNumber
AB46065
ChemicalName
Ethyl 3-hydroxypropanoate
CasNumber
623-72-3
MolecularFormula
C5H10O3
MolecularWeight
118.1311
MdlNumber
MFCD11652203
Smiles
OCCC(=O)OCC
Complexity
70.1
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
-0.3
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CatalogNumber: AB46065
ChemicalName: Ethyl 3-hydroxypropanoate
CasNumber: 623-72-3
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD11652203
Smiles: OCCC(=O)OCC
Complexity: 70.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: -0.3
CatalogNumber:
AB46065
ChemicalName:
Ethyl 3-hydroxypropanoate
CasNumber:
623-72-3
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD11652203
Smiles:
OCCC(=O)OCC
Complexity:
70.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C(=C\C(=O)OCC)/C=O
Complexity: 158
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C(=C\C(=O)OCC)/C=O
Complexity:
158
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C#CC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C#CC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB46071
ChemicalName: Ethyl 4,6-dichloronicotinate
CasNumber: 40296-46-6
MolecularFormula: C8H7Cl2NO2
MolecularWeight: 220.0527
MdlNumber: MFCD00234408
Smiles: CCOC(=O)c1cnc(cc1Cl)Cl
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB46071
ChemicalName:
Ethyl 4,6-dichloronicotinate
CasNumber:
40296-46-6
MolecularFormula:
C8H7Cl2NO2
MolecularWeight:
220.0527
MdlNumber:
MFCD00234408
Smiles:
CCOC(=O)c1cnc(cc1Cl)Cl
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.7