AI34455
1414975-77-1 | tert-Butyl n-(4-oxooxolan-3-yl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI34455
ChemicalName
tert-Butyl n-(4-oxooxolan-3-yl)carbamate
CasNumber
1414975-77-1
MolecularFormula
C9H15NO4
MolecularWeight
201.2197
MdlNumber
MFCD24524929
Smiles
O=C(OC(C)(C)C)NC1COCC1=O
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AI34455
ChemicalName: tert-Butyl n-(4-oxooxolan-3-yl)carbamate
CasNumber: 1414975-77-1
MolecularFormula: C9H15NO4
MolecularWeight: 201.2197
MdlNumber: MFCD24524929
Smiles: O=C(OC(C)(C)C)NC1COCC1=O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AI34455
ChemicalName:
tert-Butyl n-(4-oxooxolan-3-yl)carbamate
CasNumber:
1414975-77-1
MolecularFormula:
C9H15NO4
MolecularWeight:
201.2197
MdlNumber:
MFCD24524929
Smiles:
O=C(OC(C)(C)C)NC1COCC1=O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
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Smiles: COc1ccc2c(c1)[nH]c(c2)C#N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
COc1ccc2c(c1)[nH]c(c2)C#N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(Cl)cc(c(c1Cl)N)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(Cl)cc(c(c1Cl)N)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__