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127474-54-8 | 4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2R)-
CAS No: 127474-54-8 Catalog No: AG000X4C MDL No:MFCD02094549
Product Description
Catalog Number:
AG000X4C
Chemical Name:
4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, (2R)-
CAS Number:
127474-54-8
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD02094549
IUPAC Name:
(2R)-2-(phenylmethoxycarbonylamino)pent-4-enoic acid
InChI:
InChI=1S/C13H15NO4/c1-2-6-11(12(15)16)14-13(17)18-9-10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9H2,(H,14,17)(H,15,16)/t11-/m1/s1
InChI Key:
DGEZDWGCGXHLEW-LLVKDONJSA-N
SMILES:
C=CC[C@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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