AB62367
52089-54-0 | 2-Hydroxy-n-butyric acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB62367
ChemicalName
2-Hydroxy-n-butyric acid ethyl ester
CasNumber
52089-54-0
MolecularFormula
C6H12O3
MolecularWeight
132.1577
MdlNumber
MFCD00014407
Smiles
CCOC(=O)C(CC)O
Complexity
90.3
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AB62367
ChemicalName: 2-Hydroxy-n-butyric acid ethyl ester
CasNumber: 52089-54-0
MolecularFormula: C6H12O3
MolecularWeight: 132.1577
MdlNumber: MFCD00014407
Smiles: CCOC(=O)C(CC)O
Complexity: 90.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AB62367
ChemicalName:
2-Hydroxy-n-butyric acid ethyl ester
CasNumber:
52089-54-0
MolecularFormula:
C6H12O3
MolecularWeight:
132.1577
MdlNumber:
MFCD00014407
Smiles:
CCOC(=O)C(CC)O
Complexity:
90.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: AB62368
ChemicalName: 2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
CasNumber: 36404-89-4
MolecularFormula: C6H5NO2
MolecularWeight: 123.1094
MdlNumber: MFCD09909918
Smiles: O=c1c(C=O)ccc[nH]1
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
AB62368
ChemicalName:
2-Oxo-1,2-dihydro-3-pyridinecarbaldehyde
CasNumber:
36404-89-4
MolecularFormula:
C6H5NO2
MolecularWeight:
123.1094
MdlNumber:
MFCD09909918
Smiles:
O=c1c(C=O)ccc[nH]1
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCc1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCc1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__