200,000+ products from a single source!
sales@angenechem.com
175205-32-0 | 1,2-Benzenedicarboxylic acid, 1-(1-ethynyl-2-buten-1-yl) ester
CAS No: 175205-32-0 Catalog No: AG0020O7 MDL No:
Product Description
Catalog Number:
AG0020O7
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-(1-ethynyl-2-buten-1-yl) ester
CAS Number:
175205-32-0
Molecular Formula:
C14H11O4-
Molecular Weight:
243.2347
IUPAC Name:
2-[(E)-hex-4-en-1-yn-3-yl]oxycarbonylbenzoic acid
InChI:
InChI=1S/C14H12O4/c1-3-7-10(4-2)18-14(17)12-9-6-5-8-11(12)13(15)16/h2-3,5-10H,1H3,(H,15,16)/b7-3+
InChI Key:
KDTMZPJUCMQOPB-XVNBXDOJSA-N
SMILES:
CC=CC(OC(=O)c1ccccc1C(=O)[O-])C#C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.