AA78154
156002-64-1 | Methyl 2-(tetrahydro-2H-pyran-4-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AA78154
ChemicalName
Methyl 2-(tetrahydro-2H-pyran-4-yl)acetate
CasNumber
156002-64-1
MolecularFormula
C8H14O3
MolecularWeight
158.195
MdlNumber
MFCD09972087
Smiles
COC(=O)CC1CCOCC1
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AA78154
ChemicalName: Methyl 2-(tetrahydro-2H-pyran-4-yl)acetate
CasNumber: 156002-64-1
MolecularFormula: C8H14O3
MolecularWeight: 158.195
MdlNumber: MFCD09972087
Smiles: COC(=O)CC1CCOCC1
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AA78154
ChemicalName:
Methyl 2-(tetrahydro-2H-pyran-4-yl)acetate
CasNumber:
156002-64-1
MolecularFormula:
C8H14O3
MolecularWeight:
158.195
MdlNumber:
MFCD09972087
Smiles:
COC(=O)CC1CCOCC1
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: AA78155
ChemicalName: Methyl 3-cyano-4-hydroxybenzoate
CasNumber: 156001-68-2
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD13248596
Smiles: COC(=O)c1ccc(c(c1)C#N)O
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AA78155
ChemicalName:
Methyl 3-cyano-4-hydroxybenzoate
CasNumber:
156001-68-2
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD13248596
Smiles:
COC(=O)c1ccc(c(c1)C#N)O
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(Br)ccc1CBr
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(Br)ccc1CBr
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA78157
ChemicalName: 5-Bromo-2-methylbenzonitrile
CasNumber: 156001-51-3
MolecularFormula: C8H6BrN
MolecularWeight: 196.04394
MdlNumber: MFCD08061920
Smiles: N#Cc1cc(Br)ccc1C
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AA78157
ChemicalName:
5-Bromo-2-methylbenzonitrile
CasNumber:
156001-51-3
MolecularFormula:
C8H6BrN
MolecularWeight:
196.04394
MdlNumber:
MFCD08061920
Smiles:
N#Cc1cc(Br)ccc1C
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
2.7