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10003-42-6 | Glycine, N-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-
CAS No: 10003-42-6 Catalog No: AG0000C6 MDL No:
Product Description
Catalog Number:
AG0000C6
Chemical Name:
Glycine, N-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-
CAS Number:
10003-42-6
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
2-[3-(4-hydroxyphenyl)prop-2-enoylamino]acetic acid
InChI:
InChI=1S/C11H11NO4/c13-9-4-1-8(2-5-9)3-6-10(14)12-7-11(15)16/h1-6,13H,7H2,(H,12,14)(H,15,16)
InChI Key:
NZSACLXQEHBCNF-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)C=Cc1ccc(cc1)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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