AA83768
16214-27-0 | 1,2-Indanedione
Manufacturer: A2B Chem
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CatalogNumber
AA83768
ChemicalName
1,2-Indanedione
CasNumber
16214-27-0
MolecularFormula
C9H6O2
MolecularWeight
146.14273999999997
MdlNumber
MFCD00463378
Smiles
O=C1C(=O)Cc2c1cccc2
NscNumber
62555
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
Xlogp3
0.9
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CatalogNumber: AA83768
ChemicalName: 1,2-Indanedione
CasNumber: 16214-27-0
MolecularFormula: C9H6O2
MolecularWeight: 146.14273999999997
MdlNumber: MFCD00463378
Smiles: O=C1C(=O)Cc2c1cccc2
NscNumber: 62555
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
Xlogp3: 0.9
CatalogNumber:
AA83768
ChemicalName:
1,2-Indanedione
CasNumber:
16214-27-0
MolecularFormula:
C9H6O2
MolecularWeight:
146.14273999999997
MdlNumber:
MFCD00463378
Smiles:
O=C1C(=O)Cc2c1cccc2
NscNumber:
62555
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.NCCSSCCN
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.NCCSSCCN
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AA83771
ChemicalName: 2-(2,5-Dimethylphenyl)acetonitrile
CasNumber: 16213-85-7
MolecularFormula: C10H11N
MolecularWeight: 145.201
MdlNumber: MFCD00013816
Smiles: Cc1ccc(cc1CC#N)C
NscNumber: 85352
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
Xlogp3: 2.3
CatalogNumber:
AA83771
ChemicalName:
2-(2,5-Dimethylphenyl)acetonitrile
CasNumber:
16213-85-7
MolecularFormula:
C10H11N
MolecularWeight:
145.201
MdlNumber:
MFCD00013816
Smiles:
Cc1ccc(cc1CC#N)C
NscNumber:
85352
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(=C(Cl)Cl)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(=C(Cl)Cl)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__