AB51938
56842-95-6 | Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51938
ChemicalName
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CasNumber
56842-95-6
MolecularFormula
C7H8O4
MolecularWeight
156.136
MdlNumber
MFCD20621127
Smiles
OC(=O)C12CC(C1)(C2)C(=O)O
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.4
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CatalogNumber: AB51938
ChemicalName: Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CasNumber: 56842-95-6
MolecularFormula: C7H8O4
MolecularWeight: 156.136
MdlNumber: MFCD20621127
Smiles: OC(=O)C12CC(C1)(C2)C(=O)O
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AB51938
ChemicalName:
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CasNumber:
56842-95-6
MolecularFormula:
C7H8O4
MolecularWeight:
156.136
MdlNumber:
MFCD20621127
Smiles:
OC(=O)C12CC(C1)(C2)C(=O)O
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.4
CatalogNumber: AB51939
ChemicalName: Ac-cys(trt)-oh
CasNumber: 27486-87-9
MolecularFormula: C24H23NO3S
MolecularWeight: 405.5093
MdlNumber: MFCD00236747
Smiles: OC(=O)[C@@H](NC(=O)C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: 489
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 4.5
CatalogNumber:
AB51939
ChemicalName:
Ac-cys(trt)-oh
CasNumber:
27486-87-9
MolecularFormula:
C24H23NO3S
MolecularWeight:
405.5093
MdlNumber:
MFCD00236747
Smiles:
OC(=O)[C@@H](NC(=O)C)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
489
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H]1COCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H]1COCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51941
ChemicalName: Beta-hydroxyisovaleric acid
CasNumber: 625-08-1
MolecularFormula: C5H10O3
MolecularWeight: 118.1311
MdlNumber: MFCD00059081
Smiles: OC(=O)CC(O)(C)C
Complexity: 95.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.3
CatalogNumber:
AB51941
ChemicalName:
Beta-hydroxyisovaleric acid
CasNumber:
625-08-1
MolecularFormula:
C5H10O3
MolecularWeight:
118.1311
MdlNumber:
MFCD00059081
Smiles:
OC(=O)CC(O)(C)C
Complexity:
95.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.3