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145681-96-5 | Hexenol, (E)- (9CI)
CAS No: 145681-96-5 Catalog No: AG001DAG MDL No:
Product Description
Catalog Number:
AG001DAG
Chemical Name:
Hexenol, (E)- (9CI)
CAS Number:
145681-96-5
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
IUPAC Name:
hex-1-en-1-ol
InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3
InChI Key:
JHEPBQHNVNUAFL-UHFFFAOYSA-N
SMILES:
CCCC/C=C/O
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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