AA88169
1655-07-8 | Ethyl 2-oxocyclohexanecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA88169
ChemicalName
Ethyl 2-oxocyclohexanecarboxylate
CasNumber
1655-07-8
MolecularFormula
C9H14O3
MolecularWeight
170.20566000000005
MdlNumber
MFCD00001631
Smiles
CCOC(=O)C1CCCCC1=O
NscNumber
18744
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AA88169
ChemicalName: Ethyl 2-oxocyclohexanecarboxylate
CasNumber: 1655-07-8
MolecularFormula: C9H14O3
MolecularWeight: 170.20566000000005
MdlNumber: MFCD00001631
Smiles: CCOC(=O)C1CCCCC1=O
NscNumber: 18744
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AA88169
ChemicalName:
Ethyl 2-oxocyclohexanecarboxylate
CasNumber:
1655-07-8
MolecularFormula:
C9H14O3
MolecularWeight:
170.20566000000005
MdlNumber:
MFCD00001631
Smiles:
CCOC(=O)C1CCCCC1=O
NscNumber:
18744
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: AA88172
ChemicalName: 3-(2-Bromophenoxy)propanoic acid
CasNumber: 165538-35-2
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD02295726
Smiles: OC(=O)CCOc1ccccc1Br
NscNumber: __
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AA88172
ChemicalName:
3-(2-Bromophenoxy)propanoic acid
CasNumber:
165538-35-2
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD02295726
Smiles:
OC(=O)CCOc1ccccc1Br
NscNumber:
__
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN=P(N(C)C)(N(C)C)N=P(N(C)C)(N(C)C)N(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)I)C(=O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)I)C(=O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__