200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 68040-67-5
68040-67-5 | Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester
CAS No: 68040-67-5 Catalog No: AG006GDU MDL No:
Product Description
Catalog Number:
AG006GDU
Chemical Name:
Benzoic acid,2-(acetyloxy)-6-methyl-, methyl ester
CAS Number:
68040-67-5
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
methyl 2-acetyloxy-6-methylbenzoate
InChI:
InChI=1S/C11H12O4/c1-7-5-4-6-9(15-8(2)12)10(7)11(13)14-3/h4-6H,1-3H3
InChI Key:
ALADECPSHFJGRZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cccc1C)OC(=O)C
NSC Number:
52156
Properties
Complexity:
249
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:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^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.