200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 128114-09-0
128114-09-0 | 2-Hexynoic acid, 4-hydroxy-6-phenyl-, ethyl ester
CAS No: 128114-09-0 Catalog No: AG000XSZ MDL No:
Product Description
Catalog Number:
AG000XSZ
Chemical Name:
2-Hexynoic acid, 4-hydroxy-6-phenyl-, ethyl ester
CAS Number:
128114-09-0
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
IUPAC Name:
ethyl 4-hydroxy-6-phenylhex-2-ynoate
InChI:
InChI=1S/C14H16O3/c1-2-17-14(16)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-7,13,15H,2,8-9H2,1H3
InChI Key:
MOLQSEMRHFMNBA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CC(CCc1ccccc1)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.