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114516-96-0 | L-Glutamic acid, N-(phenoxycarbonyl)-
CAS No: 114516-96-0 Catalog No: AG000EMH MDL No:MFCD16380129
Product Description
Catalog Number:
AG000EMH
Chemical Name:
L-Glutamic acid, N-(phenoxycarbonyl)-
CAS Number:
114516-96-0
Molecular Formula:
C12H13NO6
Molecular Weight:
267.2347
MDL Number:
MFCD16380129
IUPAC Name:
2-(phenoxycarbonylamino)pentanedioic acid
InChI:
InChI=1S/C12H13NO6/c14-10(15)7-6-9(11(16)17)13-12(18)19-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)
InChI Key:
FARBYVVYHCLTHH-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)N[C@H](C(=O)O)CCC(=O)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.237g/mol
Monoisotopic Mass:
267.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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