AB25592
2469-99-0 | 3-Oxobutanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AB25592
ChemicalName
3-Oxobutanenitrile
CasNumber
2469-99-0
MolecularFormula
C4H5NO
MolecularWeight
83.0886
MdlNumber
MFCD05861381
Smiles
CC(=O)CC#N
Complexity
97.4
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
-0.2
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CatalogNumber: AB25592
ChemicalName: 3-Oxobutanenitrile
CasNumber: 2469-99-0
MolecularFormula: C4H5NO
MolecularWeight: 83.0886
MdlNumber: MFCD05861381
Smiles: CC(=O)CC#N
Complexity: 97.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: -0.2
CatalogNumber:
AB25592
ChemicalName:
3-Oxobutanenitrile
CasNumber:
2469-99-0
MolecularFormula:
C4H5NO
MolecularWeight:
83.0886
MdlNumber:
MFCD05861381
Smiles:
CC(=O)CC#N
Complexity:
97.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc1cc(O)c(cc1c2=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc1cc(O)c(cc1c2=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AB25600
ChemicalName: Ethyl chroman-2-carboxylate
CasNumber: 24698-77-9
MolecularFormula: C12H14O3
MolecularWeight: 206.2378
MdlNumber: MFCD08703633
Smiles: CCOC(=O)C1CCc2c(O1)cccc2
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB25600
ChemicalName:
Ethyl chroman-2-carboxylate
CasNumber:
24698-77-9
MolecularFormula:
C12H14O3
MolecularWeight:
206.2378
MdlNumber:
MFCD08703633
Smiles:
CCOC(=O)C1CCc2c(O1)cccc2
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.6