AG32027
479636-66-3 | 8-(tert-Butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG32027
ChemicalName
8-(tert-Butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CasNumber
479636-66-3
MolecularFormula
C13H20N2O5
MolecularWeight
284.3083
MdlNumber
MFCD12198539
Smiles
O=C(N1CCC2(CC1)ON=C(C2)C(=O)O)OC(C)(C)C
Complexity
444
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AG32027
ChemicalName: 8-(tert-Butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CasNumber: 479636-66-3
MolecularFormula: C13H20N2O5
MolecularWeight: 284.3083
MdlNumber: MFCD12198539
Smiles: O=C(N1CCC2(CC1)ON=C(C2)C(=O)O)OC(C)(C)C
Complexity: 444
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AG32027
ChemicalName:
8-(tert-Butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CasNumber:
479636-66-3
MolecularFormula:
C13H20N2O5
MolecularWeight:
284.3083
MdlNumber:
MFCD12198539
Smiles:
O=C(N1CCC2(CC1)ON=C(C2)C(=O)O)OC(C)(C)C
Complexity:
444
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
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Smiles: Brc1ccc2c(c1)cc(cc2)C(=O)O
Complexity: __
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Smiles:
Brc1ccc2c(c1)cc(cc2)C(=O)O
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Smiles: Cn1cnc2c1CCNC2.Cl.Cl
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Smiles:
Cn1cnc2c1CCNC2.Cl.Cl
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Smiles: COC(=O)c1ccc2c(c1)cc(cc2)Br
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Smiles:
COC(=O)c1ccc2c(c1)cc(cc2)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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