AB45566
31915-82-9 | (Z)-2-Oxopropanal oxime
Manufacturer: A2B Chem
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CatalogNumber
AB45566
ChemicalName
(Z)-2-Oxopropanal oxime
CasNumber
31915-82-9
MolecularFormula
C3H5NO2
MolecularWeight
87.0773
MdlNumber
MFCD21605507
Smiles
CC(=O)/C=N/O
Complexity
76.9
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.4
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CatalogNumber: AB45566
ChemicalName: (Z)-2-Oxopropanal oxime
CasNumber: 31915-82-9
MolecularFormula: C3H5NO2
MolecularWeight: 87.0773
MdlNumber: MFCD21605507
Smiles: CC(=O)/C=N/O
Complexity: 76.9
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB45566
ChemicalName:
(Z)-2-Oxopropanal oxime
CasNumber:
31915-82-9
MolecularFormula:
C3H5NO2
MolecularWeight:
87.0773
MdlNumber:
MFCD21605507
Smiles:
CC(=O)/C=N/O
Complexity:
76.9
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: AB45567
ChemicalName: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
CasNumber: 520-36-5
MolecularFormula: C15H10O5
MolecularWeight: 270.23690000000005
MdlNumber: MFCD00006831
Smiles: Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
Complexity: 411
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB45567
ChemicalName:
5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
CasNumber:
520-36-5
MolecularFormula:
C15H10O5
MolecularWeight:
270.23690000000005
MdlNumber:
MFCD00006831
Smiles:
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O
Complexity:
411
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1n[nH]c(=O)[nH]1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Complexity: 810
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)[C@H]1[C@H](OCCN1Cc1n[nH]c(=O)[nH]1)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Complexity:
810
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
Complexity: 362
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
Complexity:
362
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.3