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818-50-8 | 3,5-Hexadien-1-ol, 4-methyl-
CAS No: 818-50-8 Catalog No: AG005HTI MDL No:
Product Description
Catalog Number:
AG005HTI
Chemical Name:
3,5-Hexadien-1-ol, 4-methyl-
CAS Number:
818-50-8
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
4-methylhexa-3,5-dien-1-ol
InChI:
InChI=1S/C7H12O/c1-3-7(2)5-4-6-8/h3,5,8H,1,4,6H2,2H3
InChI Key:
NNGVLPJYESSKNP-UHFFFAOYSA-N
SMILES:
CC(=CCCO)C=C
Properties
Complexity:
92.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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