AC33590
83164-95-8 | Methyl 1,4-dihydro-1,4-epoxynaphthalene-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC33590
ChemicalName
Methyl 1,4-dihydro-1,4-epoxynaphthalene-1-carboxylate
CasNumber
83164-95-8
MolecularFormula
C12H10O3
MolecularWeight
202.206
MdlNumber
MFCD28122798
Smiles
COC(=O)C12C=CC(O1)c1c2cccc1
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
1.7
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CatalogNumber: AC33590
ChemicalName: Methyl 1,4-dihydro-1,4-epoxynaphthalene-1-carboxylate
CasNumber: 83164-95-8
MolecularFormula: C12H10O3
MolecularWeight: 202.206
MdlNumber: MFCD28122798
Smiles: COC(=O)C12C=CC(O1)c1c2cccc1
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.7
CatalogNumber:
AC33590
ChemicalName:
Methyl 1,4-dihydro-1,4-epoxynaphthalene-1-carboxylate
CasNumber:
83164-95-8
MolecularFormula:
C12H10O3
MolecularWeight:
202.206
MdlNumber:
MFCD28122798
Smiles:
COC(=O)C12C=CC(O1)c1c2cccc1
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.7
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Smiles: CC(Cc1sc2c(c1C)c(=O)nc([nH]2)C(=O)O)C
Complexity: __
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Smiles:
CC(Cc1sc2c(c1C)c(=O)nc([nH]2)C(=O)O)C
Complexity:
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HeavyAtomCount:
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Smiles: OC(=O)c1cccc(c1C)n1c(C)ccc1C
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1cccc(c1C)n1c(C)ccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1C)n1cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1C)n1cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__