200,000+ products from a single source!
sales@angenechem.com
819800-59-4 | 2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-9-methyl-
CAS No: 819800-59-4 Catalog No: AG005GA2 MDL No:
Product Description
Catalog Number:
AG005GA2
Chemical Name:
2H-1,5-Benzodioxepin-6-carboxylicacid, 3,4-dihydro-9-methyl-
CAS Number:
819800-59-4
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
InChI:
InChI=1S/C11H12O4/c1-7-3-4-8(11(12)13)10-9(7)14-5-2-6-15-10/h3-4H,2,5-6H2,1H3,(H,12,13)
InChI Key:
AGSKKUWEJDDAPT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1OCCCO2)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.