AV18235
1160248-21-4 | 3-(Tetrahydro-2H-pyran-4-yl)indoline-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18235
ChemicalName
3-(Tetrahydro-2H-pyran-4-yl)indoline-5-carboxylic acid
CasNumber
1160248-21-4
MolecularFormula
C14H17NO3
MolecularWeight
247.2897
MdlNumber
MFCD12198794
Smiles
OC(=O)c1ccc2c(c1)C(CN2)C1CCOCC1
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AV18235
ChemicalName: 3-(Tetrahydro-2H-pyran-4-yl)indoline-5-carboxylic acid
CasNumber: 1160248-21-4
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD12198794
Smiles: OC(=O)c1ccc2c(c1)C(CN2)C1CCOCC1
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AV18235
ChemicalName:
3-(Tetrahydro-2H-pyran-4-yl)indoline-5-carboxylic acid
CasNumber:
1160248-21-4
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD12198794
Smiles:
OC(=O)c1ccc2c(c1)C(CN2)C1CCOCC1
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: AV18236
ChemicalName: 2-((4-Chlorophenyl)sulfonyl)nicotinaldehyde
CasNumber: 1161864-76-1
MolecularFormula: C12H8ClNO3S
MolecularWeight: 281.7148
MdlNumber: MFCD29917039
Smiles: O=Cc1cccnc1S(=O)(=O)c1ccc(cc1)Cl
Complexity: 385
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AV18236
ChemicalName:
2-((4-Chlorophenyl)sulfonyl)nicotinaldehyde
CasNumber:
1161864-76-1
MolecularFormula:
C12H8ClNO3S
MolecularWeight:
281.7148
MdlNumber:
MFCD29917039
Smiles:
O=Cc1cccnc1S(=O)(=O)c1ccc(cc1)Cl
Complexity:
385
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c([nH]1)cc(nc2Cl)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c([nH]1)cc(nc2Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1=CC=CC([N+]1=O)Br
Complexity: 269
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1=CC=CC([N+]1=O)Br
Complexity:
269
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1