AI57274
853179-80-3 | 2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI57274
ChemicalName
2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, methyl ester
CasNumber
853179-80-3
MolecularFormula
C10H11NO2
MolecularWeight
177.1998
MdlNumber
MFCD27947280
Smiles
COC(=O)/C=C/c1cccc(n1)C
Complexity
201
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AI57274
ChemicalName: 2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, methyl ester
CasNumber: 853179-80-3
MolecularFormula: C10H11NO2
MolecularWeight: 177.1998
MdlNumber: MFCD27947280
Smiles: COC(=O)/C=C/c1cccc(n1)C
Complexity: 201
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AI57274
ChemicalName:
2-Propenoic acid, 3-(6-methyl-2-pyridinyl)-, methyl ester
CasNumber:
853179-80-3
MolecularFormula:
C10H11NO2
MolecularWeight:
177.1998
MdlNumber:
MFCD27947280
Smiles:
COC(=O)/C=C/c1cccc(n1)C
Complexity:
201
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H](N1CCCC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H](N1CCCC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCn1cccn1
Complexity: 150
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCn1cccn1
Complexity:
150
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)C(O)(C)C)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)C(O)(C)C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__