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6994-89-4 | (3E)-2-methyl-6-methylidene-octa-3,7-dien-2-ol
CAS No: 6994-89-4 Catalog No: AG005H19 MDL No:
Product Description
Catalog Number:
AG005H19
Chemical Name:
(3E)-2-methyl-6-methylidene-octa-3,7-dien-2-ol
CAS Number:
6994-89-4
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
(3E)-2-methyl-6-methylideneocta-3,7-dien-2-ol
InChI:
InChI=1S/C10H16O/c1-5-9(2)7-6-8-10(3,4)11/h5-6,8,11H,1-2,7H2,3-4H3/b8-6+
InChI Key:
NOEQSPUVXRMJBW-SOFGYWHQSA-N
SMILES:
C=CC(=C)C/C=C/C(O)(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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