AE12302
1187-87-7 | 5-Methyl-3-methylene-2-hexanone
Manufacturer: A2B Chem
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CatalogNumber
AE12302
ChemicalName
5-Methyl-3-methylene-2-hexanone
CasNumber
1187-87-7
MolecularFormula
C8H14O
MolecularWeight
126.1962
MdlNumber
MFCD18205964
Smiles
CC(CC(=C)C(=O)C)C
Complexity
123
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AE12302
ChemicalName: 5-Methyl-3-methylene-2-hexanone
CasNumber: 1187-87-7
MolecularFormula: C8H14O
MolecularWeight: 126.1962
MdlNumber: MFCD18205964
Smiles: CC(CC(=C)C(=O)C)C
Complexity: 123
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AE12302
ChemicalName:
5-Methyl-3-methylene-2-hexanone
CasNumber:
1187-87-7
MolecularFormula:
C8H14O
MolecularWeight:
126.1962
MdlNumber:
MFCD18205964
Smiles:
CC(CC(=C)C(=O)C)C
Complexity:
123
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE12304
ChemicalName: Isoquinoline-7-boronic acid
CasNumber: 1092790-21-0
MolecularFormula: C9H8BNO2
MolecularWeight: 172.97632000000002
MdlNumber: MFCD08234617
Smiles: OB(c1ccc2c(c1)cncc2)O
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE12304
ChemicalName:
Isoquinoline-7-boronic acid
CasNumber:
1092790-21-0
MolecularFormula:
C9H8BNO2
MolecularWeight:
172.97632000000002
MdlNumber:
MFCD08234617
Smiles:
OB(c1ccc2c(c1)cncc2)O
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1CNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1CNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__