200,000+ products from a single source!
sales@angenechem.com
138531-34-7 | 4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester
CAS No: 138531-34-7 Catalog No: AG0019E3 MDL No:
Product Description
Catalog Number:
AG0019E3
Chemical Name:
4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester
CAS Number:
138531-34-7
Molecular Formula:
C21H21NO4
Molecular Weight:
351.3957
IUPAC Name:
2-(dimethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate
InChI:
InChI=1S/C21H21NO4/c1-22(2)11-12-25-20(24)13-16-9-6-10-17-18(23)14-19(26-21(16)17)15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3
InChI Key:
NTVWZYDMHQRDFI-UHFFFAOYSA-N
SMILES:
CN(CCOC(=O)Cc1cccc2c1oc(cc2=O)c1ccccc1)C
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.402g/mol
Monoisotopic Mass:
351.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.