AB47627
504-20-1 | 2,6-Dimethyl-2,5-heptadien-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB47627
ChemicalName
2,6-Dimethyl-2,5-heptadien-4-one
CasNumber
504-20-1
MolecularFormula
C9H14O
MolecularWeight
138.2069
MdlNumber
MFCD00008901
Smiles
O=C(C=C(C)C)C=C(C)C
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AB47627
ChemicalName: 2,6-Dimethyl-2,5-heptadien-4-one
CasNumber: 504-20-1
MolecularFormula: C9H14O
MolecularWeight: 138.2069
MdlNumber: MFCD00008901
Smiles: O=C(C=C(C)C)C=C(C)C
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB47627
ChemicalName:
2,6-Dimethyl-2,5-heptadien-4-one
CasNumber:
504-20-1
MolecularFormula:
C9H14O
MolecularWeight:
138.2069
MdlNumber:
MFCD00008901
Smiles:
O=C(C=C(C)C)C=C(C)C
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AB47628
ChemicalName: 2-Chloro-5-methoxyphenylboronic acid
CasNumber: 89694-46-2
MolecularFormula: C7H8BClO3
MolecularWeight: 186.4006
MdlNumber: MFCD06659858
Smiles: COc1ccc(c(c1)B(O)O)Cl
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB47628
ChemicalName:
2-Chloro-5-methoxyphenylboronic acid
CasNumber:
89694-46-2
MolecularFormula:
C7H8BClO3
MolecularWeight:
186.4006
MdlNumber:
MFCD06659858
Smiles:
COc1ccc(c(c1)B(O)O)Cl
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cn[nH]c1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cn[nH]c1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)OCC(=O)C1=CC[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity: 856
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC(=O)C1=CC[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=CC(=O)C=C[C@]12C
Complexity:
856
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1