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13615-46-8

13615-46-8 | Sodium 3-(1H-indol-3-yl);acrylate

CAS No: 13615-46-8 Catalog No: AG003UZ5 MDL No:

Product Description

Catalog Number:
AG003UZ5
Chemical Name:
Sodium 3-(1H-indol-3-yl);acrylate
CAS Number:
13615-46-8
Molecular Formula:
C11H8NNaO2
Molecular Weight:
209.1765
IUPAC Name:
sodium;(E)-3-(1H-indol-3-yl)prop-2-enoate
InChI:
InChI=1S/C11H9NO2.Na/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-7,12H,(H,13,14);/q;+1/p-1/b6-5+;
InChI Key:
RVUGOFHDOUJAQL-IPZCTEOASA-M
SMILES:
[O-]C(=O)/C=C/c1c[nH]c2c1cccc2.[Na+]

Properties

Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
209.045g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.18g/mol
Monoisotopic Mass:
209.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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