AG32991
540490-54-8 | 1-Cyanocyclopentanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG32991
ChemicalName
1-Cyanocyclopentanecarboxylic acid
CasNumber
540490-54-8
MolecularFormula
C7H9NO2
MolecularWeight
139.15185999999997
MdlNumber
MFCD07345525
Smiles
N#CC1(CCCC1)C(=O)O
Complexity
195
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AG32991
ChemicalName: 1-Cyanocyclopentanecarboxylic acid
CasNumber: 540490-54-8
MolecularFormula: C7H9NO2
MolecularWeight: 139.15185999999997
MdlNumber: MFCD07345525
Smiles: N#CC1(CCCC1)C(=O)O
Complexity: 195
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AG32991
ChemicalName:
1-Cyanocyclopentanecarboxylic acid
CasNumber:
540490-54-8
MolecularFormula:
C7H9NO2
MolecularWeight:
139.15185999999997
MdlNumber:
MFCD07345525
Smiles:
N#CC1(CCCC1)C(=O)O
Complexity:
195
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AG32992
ChemicalName: 2-(2-Cyanophenyl)benzonitrile
CasNumber: 4341-02-0
MolecularFormula: C14H8N2
MolecularWeight: 204.2267
MdlNumber: MFCD01312162
Smiles: N#Cc1ccccc1c1ccccc1C#N
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AG32992
ChemicalName:
2-(2-Cyanophenyl)benzonitrile
CasNumber:
4341-02-0
MolecularFormula:
C14H8N2
MolecularWeight:
204.2267
MdlNumber:
MFCD01312162
Smiles:
N#Cc1ccccc1c1ccccc1C#N
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AG32993
ChemicalName: (2-Cyanophenyl)methanesulfonyl chloride
CasNumber: 51045-34-2
MolecularFormula: C8H6ClNO2S
MolecularWeight: 215.6567
MdlNumber: MFCD07355846
Smiles: N#Cc1ccccc1CS(=O)(=O)Cl
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AG32993
ChemicalName:
(2-Cyanophenyl)methanesulfonyl chloride
CasNumber:
51045-34-2
MolecularFormula:
C8H6ClNO2S
MolecularWeight:
215.6567
MdlNumber:
MFCD07355846
Smiles:
N#Cc1ccccc1CS(=O)(=O)Cl
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AG32994
ChemicalName: Diethyl thiophene-3,4-dicarboxylate
CasNumber: 53229-47-3
MolecularFormula: C10H12O4S
MolecularWeight: 228.26488000000006
MdlNumber: MFCD22493451
Smiles: CCOC(=O)c1cscc1C(=O)OCC
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AG32994
ChemicalName:
Diethyl thiophene-3,4-dicarboxylate
CasNumber:
53229-47-3
MolecularFormula:
C10H12O4S
MolecularWeight:
228.26488000000006
MdlNumber:
MFCD22493451
Smiles:
CCOC(=O)c1cscc1C(=O)OCC
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
2