AI36261
1453315-70-2 | tert-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI36261
ChemicalName
tert-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber
1453315-70-2
MolecularFormula
C11H19NO3S
MolecularWeight
245.3385
MdlNumber
MFCD27664877
Smiles
OC1CSC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AI36261
ChemicalName: tert-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber: 1453315-70-2
MolecularFormula: C11H19NO3S
MolecularWeight: 245.3385
MdlNumber: MFCD27664877
Smiles: OC1CSC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AI36261
ChemicalName:
tert-Butyl 7-hydroxy-5-thia-2-azaspiro[3.4]octane-2-carboxylate
CasNumber:
1453315-70-2
MolecularFormula:
C11H19NO3S
MolecularWeight:
245.3385
MdlNumber:
MFCD27664877
Smiles:
OC1CSC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: AI36262
ChemicalName: 2-tert-Butyl 8-ethyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2,8-dicarboxylate
CasNumber: 1453315-80-4
MolecularFormula: C14H21NO6
MolecularWeight: 299.3196
MdlNumber: MFCD27997303
Smiles: CCOC(=O)C1C(=O)COC21CN(C2)C(=O)OC(C)(C)C
Complexity: 461
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AI36262
ChemicalName:
2-tert-Butyl 8-ethyl 7-oxo-5-oxa-2-azaspiro[3.4]octane-2,8-dicarboxylate
CasNumber:
1453315-80-4
MolecularFormula:
C14H21NO6
MolecularWeight:
299.3196
MdlNumber:
MFCD27997303
Smiles:
CCOC(=O)C1C(=O)COC21CN(C2)C(=O)OC(C)(C)C
Complexity:
461
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=CCOC21CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=CCOC21CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI36264
ChemicalName: 2-Cyano-3-(1H-indol-3-yl)acrylic acid
CasNumber: 1453484-21-3
MolecularFormula: C12H8N2O2
MolecularWeight: 212.2041
MdlNumber: MFCD09998251
Smiles: N#C/C(=C/c1c[nH]c2c1cccc2)/C(=O)O
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AI36264
ChemicalName:
2-Cyano-3-(1H-indol-3-yl)acrylic acid
CasNumber:
1453484-21-3
MolecularFormula:
C12H8N2O2
MolecularWeight:
212.2041
MdlNumber:
MFCD09998251
Smiles:
N#C/C(=C/c1c[nH]c2c1cccc2)/C(=O)O
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1