AI30215
1330763-36-4 | tert-Butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI30215
ChemicalName
tert-Butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber
1330763-36-4
MolecularFormula
C12H18N2O3
MolecularWeight
238.2829
MdlNumber
MFCD20230646
Smiles
N#CC1COC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity
371
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AI30215
ChemicalName: tert-Butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber: 1330763-36-4
MolecularFormula: C12H18N2O3
MolecularWeight: 238.2829
MdlNumber: MFCD20230646
Smiles: N#CC1COC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AI30215
ChemicalName:
tert-Butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CasNumber:
1330763-36-4
MolecularFormula:
C12H18N2O3
MolecularWeight:
238.2829
MdlNumber:
MFCD20230646
Smiles:
N#CC1COC2(C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: __
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MolecularWeight: __
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Smiles: O=C(N1C[C@H]2[C@@H](C1)[C@H](COC2)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
O=C(N1C[C@H]2[C@@H](C1)[C@H](COC2)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OC(=O)[C@@H]1CC[C@@H]2[C@H](O1)CCN2C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
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CasNumber:
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__
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Smiles:
OC(=O)[C@@H]1CC[C@@H]2[C@H](O1)CCN2C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: OCC1CCC2(O1)CCN(CC2)C
Complexity: __
Covalently-bondedUnitCount: __
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:
__
MdlNumber:
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Smiles:
OCC1CCC2(O1)CCN(CC2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__