200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116138-98-8
116138-98-8 | 1,4-Octadien-3-ol, (E)- (9CI)
CAS No: 116138-98-8 Catalog No: AG000BQK MDL No:
Product Description
Catalog Number:
AG000BQK
Chemical Name:
1,4-Octadien-3-ol, (E)- (9CI)
CAS Number:
116138-98-8
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
octa-1,4-dien-3-ol
InChI:
InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4,6-9H,2-3,5H2,1H3
InChI Key:
JKMHYJRORPXHGQ-UHFFFAOYSA-N
SMILES:
CCC/C=C/C(C=C)O
Properties
Complexity:
94.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.