200,000+ products from a single source!
sales@angenechem.com
30650-47-6 | Benzeneacetic acid, 4-hydroxy-α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1)
CAS No: 30650-47-6 Catalog No: AG0030QM MDL No:
Product Description
Catalog Number:
AG0030QM
Chemical Name:
Benzeneacetic acid, 4-hydroxy-α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1)
CAS Number:
30650-47-6
Molecular Formula:
C13H14NNaO5
Molecular Weight:
287.2437
IUPAC Name:
sodium;2-(4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate
InChI:
InChI=1S/C13H15NO5.Na/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7+;
InChI Key:
GOKJACUSSDJUBD-USRGLUTNSA-M
SMILES:
COC(=O)C=C(NC(c1ccc(cc1)O)C(=O)[O-])C.[Na+]
EC Number:
250-271-6
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
287.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.247g/mol
Monoisotopic Mass:
287.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.