200,000+ products from a single source!
sales@angenechem.com
30715-59-4 | 1-Isobenzofuranacetic acid, 1,3-dihydro-α-methyl-3-oxo-1-phenyl-, ethyl ester
CAS No: 30715-59-4 Catalog No: AG00311I MDL No:
Product Description
Catalog Number:
AG00311I
Chemical Name:
1-Isobenzofuranacetic acid, 1,3-dihydro-α-methyl-3-oxo-1-phenyl-, ethyl ester
CAS Number:
30715-59-4
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
ethyl 2-(3-oxo-1-phenyl-2-benzofuran-1-yl)propanoate
InChI:
InChI=1S/C19H18O4/c1-3-22-17(20)13(2)19(14-9-5-4-6-10-14)16-12-8-7-11-15(16)18(21)23-19/h4-13H,3H2,1-2H3
InChI Key:
HJLXVLLKGGDYQM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1(OC(=O)c2c1cccc2)c1ccccc1)C
NSC Number:
171699
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.