200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 19917-07-8
19917-07-8 | Benzoic acid, 4-[(tetrahydro-2,5-dioxo-3-furanyl)methyl]-, methyl ester
CAS No: 19917-07-8 Catalog No: AG002BYE MDL No:
Product Description
Catalog Number:
AG002BYE
Chemical Name:
Benzoic acid, 4-[(tetrahydro-2,5-dioxo-3-furanyl)methyl]-, methyl ester
CAS Number:
19917-07-8
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
IUPAC Name:
methyl 4-[(2,5-dioxooxolan-3-yl)methyl]benzoate
InChI:
InChI=1S/C13H12O5/c1-17-12(15)9-4-2-8(3-5-9)6-10-7-11(14)18-13(10)16/h2-5,10H,6-7H2,1H3
InChI Key:
WRIVSJIVZCYYMW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CC1CC(=O)OC1=O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.