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100192-91-4 | Glycine, N-[3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS No: 100192-91-4 Catalog No: AG00017D MDL No:
Product Description
Catalog Number:
AG00017D
Chemical Name:
Glycine, N-[3-(4-methoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS Number:
100192-91-4
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
InChI:
InChI=1S/C12H13NO4/c1-17-10-5-2-9(3-6-10)4-7-11(14)13-8-12(15)16/h2-7H,8H2,1H3,(H,13,14)(H,15,16)
InChI Key:
IYPFFHQJOZXQGP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)NCC(=O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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