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889953-52-0 | 2-Morpholineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-5,5-dimethyl-
CAS No: 889953-52-0 Catalog No: AG0046AO MDL No:
Product Description
Catalog Number:
AG0046AO
Chemical Name:
2-Morpholineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-5,5-dimethyl-
CAS Number:
889953-52-0
Molecular Formula:
C13H23NO5
Molecular Weight:
273.3254
IUPAC Name:
2-[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]acetic acid
InChI:
InChI=1S/C13H23NO5/c1-12(2,3)19-11(17)14-7-9(6-10(15)16)18-8-13(14,4)5/h9H,6-8H2,1-5H3,(H,15,16)
InChI Key:
PJFDZRPZIHFHQV-UHFFFAOYSA-N
SMILES:
O=C(N1CC(OCC1(C)C)CC(=O)O)OC(C)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.329g/mol
Monoisotopic Mass:
273.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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