AF30086
3002-24-2 | Hexane-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AF30086
ChemicalName
Hexane-2,4-dione
CasNumber
3002-24-2
MolecularFormula
C6H10O2
MolecularWeight
114.1424
MdlNumber
MFCD00009318
Smiles
CCC(=O)CC(=O)C
NscNumber
88937
Complexity
105
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
0.3
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CatalogNumber: AF30086
ChemicalName: Hexane-2,4-dione
CasNumber: 3002-24-2
MolecularFormula: C6H10O2
MolecularWeight: 114.1424
MdlNumber: MFCD00009318
Smiles: CCC(=O)CC(=O)C
NscNumber: 88937
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AF30086
ChemicalName:
Hexane-2,4-dione
CasNumber:
3002-24-2
MolecularFormula:
C6H10O2
MolecularWeight:
114.1424
MdlNumber:
MFCD00009318
Smiles:
CCC(=O)CC(=O)C
NscNumber:
88937
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)c1n[nH]c2c1CCC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)c1n[nH]c2c1CCC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF30089
ChemicalName: 4-(Allyloxy)benzoic acid
CasNumber: 27914-60-9
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00526542
Smiles: C=CCOc1ccc(cc1)C(=O)O
NscNumber: __
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AF30089
ChemicalName:
4-(Allyloxy)benzoic acid
CasNumber:
27914-60-9
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00526542
Smiles:
C=CCOc1ccc(cc1)C(=O)O
NscNumber:
__
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.6