AB68037
859518-35-7 | 1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB68037
ChemicalName
1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
CasNumber
859518-35-7
MolecularFormula
C10H17N3O2
MolecularWeight
211.2609
MdlNumber
MFCD09991479
Smiles
N#CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity
287
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AB68037
ChemicalName: 1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
CasNumber: 859518-35-7
MolecularFormula: C10H17N3O2
MolecularWeight: 211.2609
MdlNumber: MFCD09991479
Smiles: N#CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AB68037
ChemicalName:
1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
CasNumber:
859518-35-7
MolecularFormula:
C10H17N3O2
MolecularWeight:
211.2609
MdlNumber:
MFCD09991479
Smiles:
N#CC1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOc1ccc(cc1)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOc1ccc(cc1)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB68039
ChemicalName: 4-n-Butoxybenzoic acid
CasNumber: 1498-96-0
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD00015670
Smiles: CCCCOc1ccc(cc1)C(=O)O
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 3.6
CatalogNumber:
AB68039
ChemicalName:
4-n-Butoxybenzoic acid
CasNumber:
1498-96-0
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD00015670
Smiles:
CCCCOc1ccc(cc1)C(=O)O
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.6
CatalogNumber: AB68040
ChemicalName: 4-Butoxybenzonitrile
CasNumber: 5203-14-5
MolecularFormula: C11H13NO
MolecularWeight: 175.227
MdlNumber: MFCD00043482
Smiles: CCCCOc1ccc(cc1)C#N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AB68040
ChemicalName:
4-Butoxybenzonitrile
CasNumber:
5203-14-5
MolecularFormula:
C11H13NO
MolecularWeight:
175.227
MdlNumber:
MFCD00043482
Smiles:
CCCCOc1ccc(cc1)C#N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
3