AB49386
4792-29-4 | 5-Carboxyphthalide
Manufacturer: A2B Chem
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CatalogNumber
AB49386
ChemicalName
5-Carboxyphthalide
CasNumber
4792-29-4
MolecularFormula
C9H6O4
MolecularWeight
178.1415
MdlNumber
MFCD04117971
Smiles
OC(=O)c1ccc2c(c1)COC2=O
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AB49386
ChemicalName: 5-Carboxyphthalide
CasNumber: 4792-29-4
MolecularFormula: C9H6O4
MolecularWeight: 178.1415
MdlNumber: MFCD04117971
Smiles: OC(=O)c1ccc2c(c1)COC2=O
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AB49386
ChemicalName:
5-Carboxyphthalide
CasNumber:
4792-29-4
MolecularFormula:
C9H6O4
MolecularWeight:
178.1415
MdlNumber:
MFCD04117971
Smiles:
OC(=O)c1ccc2c(c1)COC2=O
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOCCOCCOCCOCCO
Complexity: 108
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOCCOCCOCCOCCO
Complexity:
108
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.7
CatalogNumber: AB49388
ChemicalName: Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber: 479064-90-9
MolecularFormula: C14H18ClNO4
MolecularWeight: 299.75
MdlNumber: MFCD03427922
Smiles: OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.6
CatalogNumber:
AB49388
ChemicalName:
Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber:
479064-90-9
MolecularFormula:
C14H18ClNO4
MolecularWeight:
299.75
MdlNumber:
MFCD03427922
Smiles:
OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1OC2=CC=[CH](C=C2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1OC2=CC=[CH](C=C2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__