AB50312
13626-60-3 | 3-Hydroxyisoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50312
ChemicalName
3-Hydroxyisoxazole-5-carboxylic acid
CasNumber
13626-60-3
MolecularFormula
C4H3NO4
MolecularWeight
129.0709
MdlNumber
MFCD08669892
Smiles
Oc1noc(c1)C(=O)O
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.5
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CatalogNumber: AB50312
ChemicalName: 3-Hydroxyisoxazole-5-carboxylic acid
CasNumber: 13626-60-3
MolecularFormula: C4H3NO4
MolecularWeight: 129.0709
MdlNumber: MFCD08669892
Smiles: Oc1noc(c1)C(=O)O
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.5
CatalogNumber:
AB50312
ChemicalName:
3-Hydroxyisoxazole-5-carboxylic acid
CasNumber:
13626-60-3
MolecularFormula:
C4H3NO4
MolecularWeight:
129.0709
MdlNumber:
MFCD08669892
Smiles:
Oc1noc(c1)C(=O)O
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.5
CatalogNumber: AB50313
ChemicalName: 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone
CasNumber: 130336-16-2
MolecularFormula: C8H3Cl2F3O
MolecularWeight: 243.01
MdlNumber: MFCD01319996
Smiles: O=C(C(F)(F)F)c1cc(Cl)cc(c1)Cl
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4
CatalogNumber:
AB50313
ChemicalName:
1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone
CasNumber:
130336-16-2
MolecularFormula:
C8H3Cl2F3O
MolecularWeight:
243.01
MdlNumber:
MFCD01319996
Smiles:
O=C(C(F)(F)F)c1cc(Cl)cc(c1)Cl
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(C)c2c(c1)[nH]cn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(C)c2c(c1)[nH]cn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCCNC(=O)OC(C)(C)C
Complexity: 483
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCCNC(=O)OC(C)(C)C
Complexity:
483
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8