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875112-95-1 | 2,7,11-Tridecatrien-4-ol, 4,8-dimethyl-
CAS No: 875112-95-1 Catalog No: AG004FK4 MDL No:
Product Description
Catalog Number:
AG004FK4
Chemical Name:
2,7,11-Tridecatrien-4-ol, 4,8-dimethyl-
CAS Number:
875112-95-1
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
4,8-dimethyltrideca-2,7,11-trien-4-ol
InChI:
InChI=1S/C15H26O/c1-5-7-8-10-14(3)11-9-13-15(4,16)12-6-2/h5-7,11-12,16H,8-10,13H2,1-4H3
InChI Key:
VMIPPFNLEOIUPL-UHFFFAOYSA-N
SMILES:
CC=CCCC(=CCCC(C=CC)(O)C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
4.2
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