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24781-23-5 | Benzoic acid, 3-(acetyloxy)-, methyl ester
CAS No: 24781-23-5 Catalog No: AG002PFK MDL No:MFCD00092814
Product Description
Catalog Number:
AG002PFK
Chemical Name:
Benzoic acid, 3-(acetyloxy)-, methyl ester
CAS Number:
24781-23-5
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00092814
IUPAC Name:
methyl 3-acetyloxybenzoate
InChI:
InChI=1S/C10H10O4/c1-7(11)14-9-5-3-4-8(6-9)10(12)13-2/h3-6H,1-2H3
InChI Key:
QVHJKRQXHIMCTL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(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:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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