AB79357
59854-11-4 | tert-Butyl 3-hydroxypropionate
Manufacturer: A2B Chem
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CatalogNumber
AB79357
ChemicalName
tert-Butyl 3-hydroxypropionate
CasNumber
59854-11-4
MolecularFormula
C7H14O3
MolecularWeight
146.18426
MdlNumber
MFCD04974574
Smiles
OCCC(=O)OC(C)(C)C
Complexity
113
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.4
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CatalogNumber: AB79357
ChemicalName: tert-Butyl 3-hydroxypropionate
CasNumber: 59854-11-4
MolecularFormula: C7H14O3
MolecularWeight: 146.18426
MdlNumber: MFCD04974574
Smiles: OCCC(=O)OC(C)(C)C
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AB79357
ChemicalName:
tert-Butyl 3-hydroxypropionate
CasNumber:
59854-11-4
MolecularFormula:
C7H14O3
MolecularWeight:
146.18426
MdlNumber:
MFCD04974574
Smiles:
OCCC(=O)OC(C)(C)C
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C1CCC(CC1)c1ccnc2c1[nH]cc2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C1CCC(CC1)c1ccnc2c1[nH]cc2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB79360
ChemicalName: t-Butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate
CasNumber: 337520-16-8
MolecularFormula: C16H21BrN2O5
MolecularWeight: 401.2523
MdlNumber: MFCD11504894
Smiles: O=C(N1CCC(CC1)Oc1ccc(cc1Br)[N+](=O)[O-])OC(C)(C)C
Complexity: 454
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.9
CatalogNumber:
AB79360
ChemicalName:
t-Butyl 4-(2-bromo-4-nitrophenoxy)piperidine-1-carboxylate
CasNumber:
337520-16-8
MolecularFormula:
C16H21BrN2O5
MolecularWeight:
401.2523
MdlNumber:
MFCD11504894
Smiles:
O=C(N1CCC(CC1)Oc1ccc(cc1Br)[N+](=O)[O-])OC(C)(C)C
Complexity:
454
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.9
CatalogNumber: AB79361
ChemicalName: Ethyl N-Boc-piperidine-4-acetate
CasNumber: 135716-09-5
MolecularFormula: C14H25NO4
MolecularWeight: 271.3526
MdlNumber: MFCD01763998
Smiles: CCOC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AB79361
ChemicalName:
Ethyl N-Boc-piperidine-4-acetate
CasNumber:
135716-09-5
MolecularFormula:
C14H25NO4
MolecularWeight:
271.3526
MdlNumber:
MFCD01763998
Smiles:
CCOC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
2