AI06863
1059195-96-8 | Methyl 2-(1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI06863
ChemicalName
Methyl 2-(1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetate
CasNumber
1059195-96-8
MolecularFormula
C10H10N2O4
MolecularWeight
222.1974
MdlNumber
MFCD28992186
Smiles
COC(=O)CC1C(=O)NC(=O)c2n1ccc2
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AI06863
ChemicalName: Methyl 2-(1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetate
CasNumber: 1059195-96-8
MolecularFormula: C10H10N2O4
MolecularWeight: 222.1974
MdlNumber: MFCD28992186
Smiles: COC(=O)CC1C(=O)NC(=O)c2n1ccc2
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AI06863
ChemicalName:
Methyl 2-(1,3-dioxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl)acetate
CasNumber:
1059195-96-8
MolecularFormula:
C10H10N2O4
MolecularWeight:
222.1974
MdlNumber:
MFCD28992186
Smiles:
COC(=O)CC1C(=O)NC(=O)c2n1ccc2
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=O)C1=C2O)O)O)O)C.Cl
Complexity: 956
Covalently-bondedUnitCount: __
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Smiles:
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=O)C1=C2O)O)O)O)C.Cl
Complexity:
956
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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__
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Smiles: Brc1cc(OCc2ccccc2)cc(c1O)Br
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Smiles:
Brc1cc(OCc2ccccc2)cc(c1O)Br
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Brc1cccc2c1N[C@@H]1[C@H]2CNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1cccc2c1N[C@@H]1[C@H]2CNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__