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102038-88-0 | Glycine, N-(carboxymethyl)-N-[(5-formyl-2,3-dihydroxyphenyl)methyl]-
CAS No: 102038-88-0 Catalog No: AG0006FA MDL No:
Product Description
Catalog Number:
AG0006FA
Chemical Name:
Glycine, N-(carboxymethyl)-N-[(5-formyl-2,3-dihydroxyphenyl)methyl]-
CAS Number:
102038-88-0
Molecular Formula:
C12H13NO7
Molecular Weight:
283.2341
IUPAC Name:
2-[carboxymethyl-[(5-formyl-2,3-dihydroxyphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H13NO7/c14-6-7-1-8(12(20)9(15)2-7)3-13(4-10(16)17)5-11(18)19/h1-2,6,15,20H,3-5H2,(H,16,17)(H,18,19)
InChI Key:
YECRJMXCARQLSP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(CN(CC(=O)O)CC(=O)O)c(c(c1)O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
283.236g/mol
Monoisotopic Mass:
283.069g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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