AD36957
1709-26-8 | 1,5-Dimethyl 3-(cyanomethyl)pentanedioate
Manufacturer: A2B Chem
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CatalogNumber
AD36957
ChemicalName
1,5-Dimethyl 3-(cyanomethyl)pentanedioate
CasNumber
1709-26-8
MolecularFormula
C9H13NO4
MolecularWeight
199.2038
MdlNumber
MFCD29043331
Smiles
N#CCC(CC(=O)OC)CC(=O)OC
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
7
Xlogp3
-0.2
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CatalogNumber: AD36957
ChemicalName: 1,5-Dimethyl 3-(cyanomethyl)pentanedioate
CasNumber: 1709-26-8
MolecularFormula: C9H13NO4
MolecularWeight: 199.2038
MdlNumber: MFCD29043331
Smiles: N#CCC(CC(=O)OC)CC(=O)OC
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: -0.2
CatalogNumber:
AD36957
ChemicalName:
1,5-Dimethyl 3-(cyanomethyl)pentanedioate
CasNumber:
1709-26-8
MolecularFormula:
C9H13NO4
MolecularWeight:
199.2038
MdlNumber:
MFCD29043331
Smiles:
N#CCC(CC(=O)OC)CC(=O)OC
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
-0.2
CatalogNumber: AD36958
ChemicalName: 1,5-Dimethyl 3-(cyanomethylidene)pentanedioate
CasNumber: 1709-25-7
MolecularFormula: C9H11NO4
MolecularWeight: 197.1879
MdlNumber: MFCD00019835
Smiles: COC(=O)CC(=CC#N)CC(=O)OC
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 0.3
CatalogNumber:
AD36958
ChemicalName:
1,5-Dimethyl 3-(cyanomethylidene)pentanedioate
CasNumber:
1709-25-7
MolecularFormula:
C9H11NO4
MolecularWeight:
197.1879
MdlNumber:
MFCD00019835
Smiles:
COC(=O)CC(=CC#N)CC(=O)OC
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SCc1ccc(cc1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SCc1ccc(cc1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD36960
ChemicalName: 4-Amino-1-benzylpiperidine-4-carboxamide
CasNumber: 170921-49-0
MolecularFormula: C13H19N3O
MolecularWeight: 233.3095
MdlNumber: MFCD00481001
Smiles: NC(=O)C1(N)CCN(CC1)Cc1ccccc1
Complexity: 266
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AD36960
ChemicalName:
4-Amino-1-benzylpiperidine-4-carboxamide
CasNumber:
170921-49-0
MolecularFormula:
C13H19N3O
MolecularWeight:
233.3095
MdlNumber:
MFCD00481001
Smiles:
NC(=O)C1(N)CCN(CC1)Cc1ccccc1
Complexity:
266
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
0.1