200,000+ products from a single source!
sales@angenechem.com
141185-57-1 | 4-Penten-2-ol, 1,1,1-trichloro-4-methyl-, acetate, (R)- (9CI)
CAS No: 141185-57-1 Catalog No: AG001G1Q MDL No:
Product Description
Catalog Number:
AG001G1Q
Chemical Name:
4-Penten-2-ol, 1,1,1-trichloro-4-methyl-, acetate, (R)- (9CI)
CAS Number:
141185-57-1
Molecular Formula:
C8H11Cl3O2
Molecular Weight:
245.5307
IUPAC Name:
acetic acid;1,1,1-trichloro-4-methylpent-4-en-2-ol
InChI:
InChI=1S/C6H9Cl3O.C2H4O2/c1-4(2)3-5(10)6(7,8)9;1-2(3)4/h5,10H,1,3H2,2H3;1H3,(H,3,4)
InChI Key:
LXCZTWLUWCHKLG-UHFFFAOYSA-N
SMILES:
CC(=C)C[C@H](C(Cl)(Cl)Cl)OC(=O)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.993g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.539g/mol
Monoisotopic Mass:
261.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.