AB50635
876-05-1 | (1R,3S)-Cyclopentane-1,3-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50635
ChemicalName
(1R,3S)-Cyclopentane-1,3-dicarboxylic acid
CasNumber
876-05-1
MolecularFormula
C7H10O4
MolecularWeight
158.15189999999998
MdlNumber
MFCD01311175
Smiles
OC(=O)[C@@H]1CC[C@@H](C1)C(=O)O
Complexity
167
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AB50635
ChemicalName: (1R,3S)-Cyclopentane-1,3-dicarboxylic acid
CasNumber: 876-05-1
MolecularFormula: C7H10O4
MolecularWeight: 158.15189999999998
MdlNumber: MFCD01311175
Smiles: OC(=O)[C@@H]1CC[C@@H](C1)C(=O)O
Complexity: 167
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AB50635
ChemicalName:
(1R,3S)-Cyclopentane-1,3-dicarboxylic acid
CasNumber:
876-05-1
MolecularFormula:
C7H10O4
MolecularWeight:
158.15189999999998
MdlNumber:
MFCD01311175
Smiles:
OC(=O)[C@@H]1CC[C@@H](C1)C(=O)O
Complexity:
167
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: AB50636
ChemicalName: 2,2-Difluoropropylamine HCl
CasNumber: 868241-48-9
MolecularFormula: C3H8ClF2N
MolecularWeight: 131.5521
MdlNumber: MFCD06659051
Smiles: NCC(F)(F)C.Cl
Complexity: 44.1
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: __
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB50636
ChemicalName:
2,2-Difluoropropylamine HCl
CasNumber:
868241-48-9
MolecularFormula:
C3H8ClF2N
MolecularWeight:
131.5521
MdlNumber:
MFCD06659051
Smiles:
NCC(F)(F)C.Cl
Complexity:
44.1
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: F[B-](F)(F)F.Fc1c([n+]2cn3c(n2)CCC3)c(F)c(c(c1F)F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
F[B-](F)(F)F.Fc1c([n+]2cn3c(n2)CCC3)c(F)c(c(c1F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50639
ChemicalName: 6-Oxo-1,6-dihydropyridazine-4-carboxylic acid
CasNumber: 867130-58-3
MolecularFormula: C5H4N2O3
MolecularWeight: 140.0969
MdlNumber: MFCD08437486
Smiles: OC(=O)c1cn[nH]c(=O)c1
Complexity: 241
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -1
CatalogNumber:
AB50639
ChemicalName:
6-Oxo-1,6-dihydropyridazine-4-carboxylic acid
CasNumber:
867130-58-3
MolecularFormula:
C5H4N2O3
MolecularWeight:
140.0969
MdlNumber:
MFCD08437486
Smiles:
OC(=O)c1cn[nH]c(=O)c1
Complexity:
241
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-1