AB50197
34970-18-8 | 3,3-Dimethylcyclobutanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50197
ChemicalName
3,3-Dimethylcyclobutanecarboxylic acid
CasNumber
34970-18-8
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD01734205
Smiles
OC(=O)C1CC(C1)(C)C
Complexity
130
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AB50197
ChemicalName: 3,3-Dimethylcyclobutanecarboxylic acid
CasNumber: 34970-18-8
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD01734205
Smiles: OC(=O)C1CC(C1)(C)C
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB50197
ChemicalName:
3,3-Dimethylcyclobutanecarboxylic acid
CasNumber:
34970-18-8
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD01734205
Smiles:
OC(=O)C1CC(C1)(C)C
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1Cc2ccccc2N(c2c1cccc2)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1Cc2ccccc2N(c2c1cccc2)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)[C@H]1CSC(=N1)c1nc2c(s1)cc(cc2)O.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)[C@H]1CSC(=N1)c1nc2c(s1)cc(cc2)O.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50200
ChemicalName: 4-Piperidinobenzaldehyde
CasNumber: 10338-57-5
MolecularFormula: C12H15NO
MolecularWeight: 189.2536
MdlNumber: MFCD00778395
Smiles: O=Cc1ccc(cc1)N1CCCCC1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB50200
ChemicalName:
4-Piperidinobenzaldehyde
CasNumber:
10338-57-5
MolecularFormula:
C12H15NO
MolecularWeight:
189.2536
MdlNumber:
MFCD00778395
Smiles:
O=Cc1ccc(cc1)N1CCCCC1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.9