200,000+ products from a single source!
sales@angenechem.com
176550-36-0 | 4-Octen-1-ol, 3,7,7-trimethyl-, acetate, (E)- (9CI)
CAS No: 176550-36-0 Catalog No: AG0024QQ MDL No:
Product Description
Catalog Number:
AG0024QQ
Chemical Name:
4-Octen-1-ol, 3,7,7-trimethyl-, acetate, (E)- (9CI)
CAS Number:
176550-36-0
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
acetic acid;3,7,7-trimethyloct-4-en-1-ol
InChI:
InChI=1S/C11H22O.C2H4O2/c1-10(7-9-12)6-5-8-11(2,3)4;1-2(3)4/h5-6,10,12H,7-9H2,1-4H3;1H3,(H,3,4)
InChI Key:
GCSMWAZFFSXSDA-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC(/C=C/CC(C)(C)C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.188g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.348g/mol
Monoisotopic Mass:
230.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.