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100347-78-2 | Benzoic acid, 4-(2-propen-1-yloxy)-3,5-dipropyl-, methyl ester
CAS No: 100347-78-2 Catalog No: AG0001O9 MDL No:
Product Description
Catalog Number:
AG0001O9
Chemical Name:
Benzoic acid, 4-(2-propen-1-yloxy)-3,5-dipropyl-, methyl ester
CAS Number:
100347-78-2
Molecular Formula:
C17H24O3
Molecular Weight:
276.3707
IUPAC Name:
methyl 4-prop-2-enoxy-3,5-dipropylbenzoate
InChI:
InChI=1S/C17H24O3/c1-5-8-13-11-15(17(18)19-4)12-14(9-6-2)16(13)20-10-7-3/h7,11-12H,3,5-6,8-10H2,1-2,4H3
InChI Key:
YAFZWNCGWWHTGS-UHFFFAOYSA-N
SMILES:
CCCc1cc(cc(c1OCC=C)CCC)C(=O)OC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.376g/mol
Monoisotopic Mass:
276.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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