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116155-95-4 | 2,4,6,10-Dodecatetraenoic acid, 7-(hydroxymethyl)-3,11-dimethyl-
CAS No: 116155-95-4 Catalog No: AG000BRO MDL No:
Product Description
Catalog Number:
AG000BRO
Chemical Name:
2,4,6,10-Dodecatetraenoic acid, 7-(hydroxymethyl)-3,11-dimethyl-
CAS Number:
116155-95-4
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
7-(hydroxymethyl)-3,11-dimethyldodeca-2,4,6,10-tetraenoic acid
InChI:
InChI=1S/C15H22O3/c1-12(2)6-4-8-14(11-16)9-5-7-13(3)10-15(17)18/h5-7,9-10,16H,4,8,11H2,1-3H3,(H,17,18)
InChI Key:
MKDPIXNULYLNSR-UHFFFAOYSA-N
SMILES:
OCC(=CC=CC(=CC(=O)O)C)CCC=C(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.8
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