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141993-24-0 | 2,5-Hexadien-1-ol, 4,4-dimethyl-, (2E)-
CAS No: 141993-24-0 Catalog No: AG001HIG MDL No:
Product Description
Catalog Number:
AG001HIG
Chemical Name:
2,5-Hexadien-1-ol, 4,4-dimethyl-, (2E)-
CAS Number:
141993-24-0
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
4,4-dimethylhexa-2,5-dien-1-ol
InChI:
InChI=1S/C8H14O/c1-4-8(2,3)6-5-7-9/h4-6,9H,1,7H2,2-3H3
InChI Key:
BKIKIFZEVPEXMS-UHFFFAOYSA-N
SMILES:
OC/C=C/C(C=C)(C)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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