200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 138741-40-9
138741-40-9 | 1-Butanol, 3,3-dimethyl-2-[(phenylmethoxy)methyl]-, 1-methanesulfonate
CAS No: 138741-40-9 Catalog No: AG0019G1 MDL No:
Product Description
Catalog Number:
AG0019G1
Chemical Name:
1-Butanol, 3,3-dimethyl-2-[(phenylmethoxy)methyl]-, 1-methanesulfonate
CAS Number:
138741-40-9
Molecular Formula:
C15H24O4S
Molecular Weight:
300.4137
IUPAC Name:
3,3-dimethyl-2-(phenylmethoxymethyl)butan-1-ol;methanesulfonic acid
InChI:
InChI=1S/C14H22O2.CH4O3S/c1-14(2,3)13(9-15)11-16-10-12-7-5-4-6-8-12;1-5(2,3)4/h4-8,13,15H,9-11H2,1-3H3;1H3,(H,2,3,4)
InChI Key:
QCDXIVXKOZAXEW-UHFFFAOYSA-N
SMILES:
CC(C(COS(=O)(=O)C)COCc1ccccc1)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.15g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.428g/mol
Monoisotopic Mass:
318.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.