AA12275
113771-58-7 | Methyl chroman-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA12275
ChemicalName
Methyl chroman-2-carboxylate
CasNumber
113771-58-7
MolecularFormula
C11H12O3
MolecularWeight
192.2112
MdlNumber
MFCD20527542
Smiles
COC(=O)C1CCc2c(O1)cccc2
Complexity
215
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AA12275
ChemicalName: Methyl chroman-2-carboxylate
CasNumber: 113771-58-7
MolecularFormula: C11H12O3
MolecularWeight: 192.2112
MdlNumber: MFCD20527542
Smiles: COC(=O)C1CCc2c(O1)cccc2
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AA12275
ChemicalName:
Methyl chroman-2-carboxylate
CasNumber:
113771-58-7
MolecularFormula:
C11H12O3
MolecularWeight:
192.2112
MdlNumber:
MFCD20527542
Smiles:
COC(=O)C1CCc2c(O1)cccc2
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AA12278
ChemicalName: 3-Fluoro-4-cyanopyridine
CasNumber: 113770-88-0
MolecularFormula: C6H3FN2
MolecularWeight: 122.0998
MdlNumber: MFCD04112524
Smiles: N#Cc1ccncc1F
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
AA12278
ChemicalName:
3-Fluoro-4-cyanopyridine
CasNumber:
113770-88-0
MolecularFormula:
C6H3FN2
MolecularWeight:
122.0998
MdlNumber:
MFCD04112524
Smiles:
N#Cc1ccncc1F
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cnccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cnccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1CO[C@](O1)(Cn1ncnc1)c1ccc(cc1Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1CO[C@](O1)(Cn1ncnc1)c1ccc(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__