AB75804
13412-12-9 | Methyl 3-methylaminocrotonate
Manufacturer: A2B Chem
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CatalogNumber
AB75804
ChemicalName
Methyl 3-methylaminocrotonate
CasNumber
13412-12-9
MolecularFormula
C9H15NO4
MolecularWeight
201.2197
MdlNumber
MFCD00027383
Smiles
COC(=O)C1C(C1(C)C)(NC)C(=O)O
Complexity
129
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AB75804
ChemicalName: Methyl 3-methylaminocrotonate
CasNumber: 13412-12-9
MolecularFormula: C9H15NO4
MolecularWeight: 201.2197
MdlNumber: MFCD00027383
Smiles: COC(=O)C1C(C1(C)C)(NC)C(=O)O
Complexity: 129
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB75804
ChemicalName:
Methyl 3-methylaminocrotonate
CasNumber:
13412-12-9
MolecularFormula:
C9H15NO4
MolecularWeight:
201.2197
MdlNumber:
MFCD00027383
Smiles:
COC(=O)C1C(C1(C)C)(NC)C(=O)O
Complexity:
129
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: AB75805
ChemicalName: Methyl 3-methylbenzoate
CasNumber: 99-36-5
MolecularFormula: C9H10O2
MolecularWeight: 150.1745
MdlNumber: MFCD00008436
Smiles: COC(=O)c1cccc(c1)C
Complexity: 143
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB75805
ChemicalName:
Methyl 3-methylbenzoate
CasNumber:
99-36-5
MolecularFormula:
C9H10O2
MolecularWeight:
150.1745
MdlNumber:
MFCD00008436
Smiles:
COC(=O)c1cccc(c1)C
Complexity:
143
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc2c(c1C)cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc2c(c1C)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75807
ChemicalName: Methyl 3-methylpicolinate
CasNumber: 59718-84-2
MolecularFormula: C8H9NO2
MolecularWeight: 151.16255999999998
MdlNumber: MFCD03789583
Smiles: COC(=O)c1ncccc1C
Complexity: 147
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB75807
ChemicalName:
Methyl 3-methylpicolinate
CasNumber:
59718-84-2
MolecularFormula:
C8H9NO2
MolecularWeight:
151.16255999999998
MdlNumber:
MFCD03789583
Smiles:
COC(=O)c1ncccc1C
Complexity:
147
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.4