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77963-77-0 | 1,5-Hexadien-3-ol, 2,4,4-trimethyl-
CAS No: 77963-77-0 Catalog No: AG0055JH MDL No:
Product Description
Catalog Number:
AG0055JH
Chemical Name:
1,5-Hexadien-3-ol, 2,4,4-trimethyl-
CAS Number:
77963-77-0
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
2,4,4-trimethylhexa-1,5-dien-3-ol
InChI:
InChI=1S/C9H16O/c1-6-9(4,5)8(10)7(2)3/h6,8,10H,1-2H2,3-5H3
InChI Key:
WUHHGNKOMQWYHW-UHFFFAOYSA-N
SMILES:
C=CC(C(C(=C)C)O)(C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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