200,000+ products from a single source!
sales@angenechem.com
77037-46-8 | 4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester
CAS No: 77037-46-8 Catalog No: AG00573B MDL No:
Product Description
Catalog Number:
AG00573B
Chemical Name:
4H-1-Benzopyran-3-carboxylic acid, 4-oxo-2-phenyl-, ethyl ester
CAS Number:
77037-46-8
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
ethyl 4-oxo-2-phenylchromene-3-carboxylate
InChI:
InChI=1S/C18H14O4/c1-2-21-18(20)15-16(19)13-10-6-7-11-14(13)22-17(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChI Key:
HMHGOWYKZQPERA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(oc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.