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84292-07-9 | 1,5-Heptadien-4-ol, 3,4-dimethyl-
CAS No: 84292-07-9 Catalog No: AG004XZB MDL No:
Product Description
Catalog Number:
AG004XZB
Chemical Name:
1,5-Heptadien-4-ol, 3,4-dimethyl-
CAS Number:
84292-07-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
3,4-dimethylhepta-1,5-dien-4-ol
InChI:
InChI=1S/C9H16O/c1-5-7-9(4,10)8(3)6-2/h5-8,10H,2H2,1,3-4H3
InChI Key:
MKZOYHBMEGEIOL-UHFFFAOYSA-N
SMILES:
CC=CC(C(C=C)C)(O)C
Properties
Complexity:
138
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:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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