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259147-67-6 | Benzoic acid, 3-acetyl-4-(1-methylethoxy)-, methyl ester
CAS No: 259147-67-6 Catalog No: AG002R1B MDL No:
Product Description
Catalog Number:
AG002R1B
Chemical Name:
Benzoic acid, 3-acetyl-4-(1-methylethoxy)-, methyl ester
CAS Number:
259147-67-6
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
methyl 3-acetyl-4-propan-2-yloxybenzoate
InChI:
InChI=1S/C13H16O4/c1-8(2)17-12-6-5-10(13(15)16-4)7-11(12)9(3)14/h5-8H,1-4H3
InChI Key:
ZOGPYKAGBMBZAW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)C)OC(C)C
EC Number:
607-826-6
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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