AB23094
23405-32-5 | Methyl phthalide-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB23094
ChemicalName
Methyl phthalide-5-carboxylate
CasNumber
23405-32-5
MolecularFormula
C10H8O4
MolecularWeight
192.1681
MdlNumber
MFCD11046461
Smiles
COC(=O)c1ccc2c(c1)COC2=O
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AB23094
ChemicalName: Methyl phthalide-5-carboxylate
CasNumber: 23405-32-5
MolecularFormula: C10H8O4
MolecularWeight: 192.1681
MdlNumber: MFCD11046461
Smiles: COC(=O)c1ccc2c(c1)COC2=O
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB23094
ChemicalName:
Methyl phthalide-5-carboxylate
CasNumber:
23405-32-5
MolecularFormula:
C10H8O4
MolecularWeight:
192.1681
MdlNumber:
MFCD11046461
Smiles:
COC(=O)c1ccc2c(c1)COC2=O
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1CNCC(=O)N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1CNCC(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB23096
ChemicalName: Methyl 6-oxopiperazine-2-carboxylate
CasNumber: 234109-20-7
MolecularFormula: C6H10N2O3
MolecularWeight: 158.1552
MdlNumber: MFCD13175115
Smiles: COC(=O)C1CNCC(=O)N1
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: -1.1
CatalogNumber:
AB23096
ChemicalName:
Methyl 6-oxopiperazine-2-carboxylate
CasNumber:
234109-20-7
MolecularFormula:
C6H10N2O3
MolecularWeight:
158.1552
MdlNumber:
MFCD13175115
Smiles:
COC(=O)C1CNCC(=O)N1
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
-1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccnc(c1I)Cl)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccnc(c1I)Cl)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__