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100347-73-7 | Benzoic acid, 4-(2-propen-1-yloxy)-3,5-dipropyl-
CAS No: 100347-73-7 Catalog No: AG0001OB MDL No:
Product Description
Catalog Number:
AG0001OB
Chemical Name:
Benzoic acid, 4-(2-propen-1-yloxy)-3,5-dipropyl-
CAS Number:
100347-73-7
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
IUPAC Name:
4-prop-2-enoxy-3,5-dipropylbenzoic acid
InChI:
InChI=1S/C16H22O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h6,10-11H,3-5,7-9H2,1-2H3,(H,17,18)
InChI Key:
UMPMTSRYGHCQAK-UHFFFAOYSA-N
SMILES:
CCCc1cc(cc(c1OCC=C)CCC)C(=O)O
NSC Number:
14924
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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