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88621-65-2 | Glycine, N-[[4-(hydroxymethyl)-3-methoxyphenoxy]acetyl]-
CAS No: 88621-65-2 Catalog No: AG004ALI MDL No:
Product Description
Catalog Number:
AG004ALI
Chemical Name:
Glycine, N-[[4-(hydroxymethyl)-3-methoxyphenoxy]acetyl]-
CAS Number:
88621-65-2
Molecular Formula:
C12H15NO6
Molecular Weight:
269.2506
IUPAC Name:
2-[[2-[4-(hydroxymethyl)-3-methoxyphenoxy]acetyl]amino]acetic acid
InChI:
InChI=1S/C12H15NO6/c1-18-10-4-9(3-2-8(10)6-14)19-7-11(15)13-5-12(16)17/h2-4,14H,5-7H2,1H3,(H,13,15)(H,16,17)
InChI Key:
BVZQVOOSNWFMGE-UHFFFAOYSA-N
SMILES:
COc1cc(OCC(=O)NCC(=O)O)ccc1CO
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.253g/mol
Monoisotopic Mass:
269.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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