200,000+ products from a single source!
sales@angenechem.com
114322-22-4 | Acetic acid, 2-[2-(1H-pyrrol-1-yl)phenoxy]-
CAS No: 114322-22-4 Catalog No: AG000B2J MDL No:
Product Description
Catalog Number:
AG000B2J
Chemical Name:
Acetic acid, 2-[2-(1H-pyrrol-1-yl)phenoxy]-
CAS Number:
114322-22-4
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
2-(2-pyrrol-1-ylphenoxy)acetic acid
InChI:
InChI=1S/C12H11NO3/c14-12(15)9-16-11-6-2-1-5-10(11)13-7-3-4-8-13/h1-8H,9H2,(H,14,15)
InChI Key:
FRCQPCVALLTUHH-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccccc1n1cccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.