AG27248
518990-21-1 | Ethyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG27248
ChemicalName
Ethyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
CasNumber
518990-21-1
MolecularFormula
C9H12N2O3
MolecularWeight
196.2032
MdlNumber
MFCD18250672
Smiles
CCOC(=O)c1n[nH]c2c1COCC2
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AG27248
ChemicalName: Ethyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
CasNumber: 518990-21-1
MolecularFormula: C9H12N2O3
MolecularWeight: 196.2032
MdlNumber: MFCD18250672
Smiles: CCOC(=O)c1n[nH]c2c1COCC2
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AG27248
ChemicalName:
Ethyl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
CasNumber:
518990-21-1
MolecularFormula:
C9H12N2O3
MolecularWeight:
196.2032
MdlNumber:
MFCD18250672
Smiles:
CCOC(=O)c1n[nH]c2c1COCC2
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
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Smiles: NCCn1nc2c(c1C(=O)OCC)CCCC2
Complexity: __
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Smiles:
NCCn1nc2c(c1C(=O)OCC)CCCC2
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Smiles: COC(=O)c1ccc(cc1)OCc1cccc(c1)F
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HydrogenBondDonorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1ccc(cc1)OCc1cccc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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