AB46576
53171-39-4 | Methyl succinamate
Manufacturer: A2B Chem
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CatalogNumber
AB46576
ChemicalName
Methyl succinamate
CasNumber
53171-39-4
MolecularFormula
C5H9NO3
MolecularWeight
131.1299
MdlNumber
MFCD08276419
Smiles
COC(=O)CCC(=O)N
Complexity
121
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
-0.6
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CatalogNumber: AB46576
ChemicalName: Methyl succinamate
CasNumber: 53171-39-4
MolecularFormula: C5H9NO3
MolecularWeight: 131.1299
MdlNumber: MFCD08276419
Smiles: COC(=O)CCC(=O)N
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: -0.6
CatalogNumber:
AB46576
ChemicalName:
Methyl succinamate
CasNumber:
53171-39-4
MolecularFormula:
C5H9NO3
MolecularWeight:
131.1299
MdlNumber:
MFCD08276419
Smiles:
COC(=O)CCC(=O)N
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)C
Complexity: 85.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)C
Complexity:
85.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: AB46578
ChemicalName: methyl tetrahydro-2H-pyran-2-carboxylate
CasNumber: 84355-44-2
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD12198853
Smiles: COC(=O)C1CCCCO1
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB46578
ChemicalName:
methyl tetrahydro-2H-pyran-2-carboxylate
CasNumber:
84355-44-2
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD12198853
Smiles:
COC(=O)C1CCCCO1
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AB46579
ChemicalName: Methyl thiosalicylate
CasNumber: 4892-02-8
MolecularFormula: C8H8O2S
MolecularWeight: 168.21292000000003
MdlNumber: MFCD00060678
Smiles: COC(=O)c1ccccc1S
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB46579
ChemicalName:
Methyl thiosalicylate
CasNumber:
4892-02-8
MolecularFormula:
C8H8O2S
MolecularWeight:
168.21292000000003
MdlNumber:
MFCD00060678
Smiles:
COC(=O)c1ccccc1S
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9