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Home > Imidazoles > 130952-46-4
130952-46-4 | 2-Propenoic acid, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-, sodium salt (1:1)
CAS No: 130952-46-4 Catalog No: AG000V5J MDL No:
Product Description
Catalog Number:
AG000V5J
Chemical Name:
2-Propenoic acid, 3-[4-(1H-imidazol-1-ylmethyl)phenyl]-, sodium salt (1:1)
CAS Number:
130952-46-4
Molecular Formula:
C13H11N2NaO2
Molecular Weight:
250.2284
IUPAC Name:
sodium;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C13H12N2O2.Na/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);/q;+1/p-1/b6-5+;
InChI Key:
NCNYJCOBUTXCBR-IPZCTEOASA-M
SMILES:
[O-]C(=O)C=Cc1ccc(cc1)Cn1ccnc1.[Na+]
UNII:
4X5577N3ET
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
250.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.233g/mol
Monoisotopic Mass:
250.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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