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84604-40-0 | L-Glutamic acid,5-(1-methylethyl) ester
CAS No: 84604-40-0 Catalog No: AG004TSA MDL No:
Product Description
Catalog Number:
AG004TSA
Chemical Name:
L-Glutamic acid,5-(1-methylethyl) ester
CAS Number:
84604-40-0
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
methyl 2-[[(E)-2-methylbut-2-enoyl]amino]benzoate
InChI:
InChI=1S/C13H15NO3/c1-4-9(2)12(15)14-11-8-6-5-7-10(11)13(16)17-3/h4-8H,1-3H3,(H,14,15)/b9-4+
InChI Key:
XTTVYPWUDNSTFW-RUDMXATFSA-N
SMILES:
COC(=O)c1ccccc1NC(=O)/C(=C/C)/C
EC Number:
283-320-5
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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