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100482-30-2 | Benzoic acid, 4-propoxy-3,5-dipropyl-
CAS No: 100482-30-2 Catalog No: AG00022Q MDL No:
Product Description
Catalog Number:
AG00022Q
Chemical Name:
Benzoic acid, 4-propoxy-3,5-dipropyl-
CAS Number:
100482-30-2
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
4-propoxy-3,5-dipropylbenzoic acid
InChI:
InChI=1S/C16H24O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h10-11H,4-9H2,1-3H3,(H,17,18)
InChI Key:
UDENWZIHICZBNA-UHFFFAOYSA-N
SMILES:
CCCc1cc(cc(c1OCCC)CCC)C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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