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1807934-06-0 | 5-{3-[(tert-butoxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}pent-4-enoic acid
CAS No: 1807934-06-0 Catalog No: AG01BCGS MDL No:MFCD24537305
Product Description
Catalog Number:
AG01BCGS
Chemical Name:
5-{3-[(tert-butoxy)carbonyl]-2,2-dimethyl-1,3-oxazolidin-4-yl}pent-4-enoic acid
CAS Number:
1807934-06-0
Molecular Formula:
C15H25NO5
Molecular Weight:
299.3627
MDL Number:
MFCD24537305
IUPAC Name:
5-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]pent-4-enoic acid
InChI:
InChI=1S/C15H25NO5/c1-14(2,3)21-13(19)16-11(10-20-15(16,4)5)8-6-7-9-12(17)18/h6,8,11H,7,9-10H2,1-5H3,(H,17,18)
InChI Key:
QSFWUZHDAIBWTO-UHFFFAOYSA-N
SMILES:
O=C(N1C(COC1(C)C)C=CCCC(=O)O)OC(C)(C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.367g/mol
Monoisotopic Mass:
299.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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