AB47055
666837-93-0 | Su9516
Manufacturer: A2B Chem
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CatalogNumber
AB47055
ChemicalName
Su9516
CasNumber
666837-93-0
MolecularFormula
C13H11N3O2
MolecularWeight
241.2453
MdlNumber
MFCD17010284
Smiles
COc1ccc2c(c1)/C(=C/c1c[nH]cn1)/C(=O)N2
Complexity
369
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedBondStereocenterCount
1
Xlogp3
1
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CatalogNumber: AB47055
ChemicalName: Su9516
CasNumber: 666837-93-0
MolecularFormula: C13H11N3O2
MolecularWeight: 241.2453
MdlNumber: MFCD17010284
Smiles: COc1ccc2c(c1)/C(=C/c1c[nH]cn1)/C(=O)N2
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedBondStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AB47055
ChemicalName:
Su9516
CasNumber:
666837-93-0
MolecularFormula:
C13H11N3O2
MolecularWeight:
241.2453
MdlNumber:
MFCD17010284
Smiles:
COc1ccc2c(c1)/C(=C/c1c[nH]cn1)/C(=O)N2
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedBondStereocenterCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCCCCC(=O)O
Complexity: 135
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCCCCCC(=O)O
Complexity:
135
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
1
CatalogNumber: AB47058
ChemicalName: Succinic anhydride
CasNumber: 108-30-5
MolecularFormula: C4H4O3
MolecularWeight: 100.0728
MdlNumber: MFCD00005525
Smiles: O=C1CCC(=O)O1
Complexity: 102
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: -0.5
CatalogNumber:
AB47058
ChemicalName:
Succinic anhydride
CasNumber:
108-30-5
MolecularFormula:
C4H4O3
MolecularWeight:
100.0728
MdlNumber:
MFCD00005525
Smiles:
O=C1CCC(=O)O1
Complexity:
102
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__