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88443-77-0 | Benzeneacetic acid, 3-(acetyloxy)-
CAS No: 88443-77-0 Catalog No: AG004JKB MDL No:
Product Description
Catalog Number:
AG004JKB
Chemical Name:
Benzeneacetic acid, 3-(acetyloxy)-
CAS Number:
88443-77-0
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
2-(3-acetyloxyphenyl)acetic acid
InChI:
InChI=1S/C10H10O4/c1-7(11)14-9-4-2-3-8(5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key:
BUTUODUHDBOYTP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)OC(=O)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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