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1217776-07-2 | 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (2R)-
CAS No: 1217776-07-2 Catalog No: AG0015YB MDL No:
Product Description
Catalog Number:
AG0015YB
Chemical Name:
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (2R)-
CAS Number:
1217776-07-2
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI:
InChI=1S/C11H19NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h8H,1,6H2,2-5H3,(H,12,15)(H,13,14)
InChI Key:
YHWOMLAFEJVSSA-UHFFFAOYSA-N
SMILES:
CC(=C)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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