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30884-86-7 | 1,5-Hexadien-3-ol, 3,4-dimethyl-
CAS No: 30884-86-7 Catalog No: AG0031KL MDL No:
Product Description
Catalog Number:
AG0031KL
Chemical Name:
1,5-Hexadien-3-ol, 3,4-dimethyl-
CAS Number:
30884-86-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
3,4-dimethylhexa-1,5-dien-3-ol
InChI:
InChI=1S/C8H14O/c1-5-7(3)8(4,9)6-2/h5-7,9H,1-2H2,3-4H3
InChI Key:
BPYPLDAADGOFBD-UHFFFAOYSA-N
SMILES:
C=CC(C(C=C)(O)C)C
Properties
Complexity:
118
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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