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13287-30-4 | 1,2-Benzenediol, 4-methyl-, 1,2-diacetate
CAS No: 13287-30-4 Catalog No: AG0011AQ MDL No:
Product Description
Catalog Number:
AG0011AQ
Chemical Name:
1,2-Benzenediol, 4-methyl-, 1,2-diacetate
CAS Number:
13287-30-4
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
(2-acetyloxy-4-methylphenyl) acetate
InChI:
InChI=1S/C11H12O4/c1-7-4-5-10(14-8(2)12)11(6-7)15-9(3)13/h4-6H,1-3H3
InChI Key:
AOPKLCBVSXXATF-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(C)ccc1OC(=O)C
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:
1.8
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