200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 118447-96-4
118447-96-4 | Phosphonic acid, [[hydroxy[(3-methyl-3-butenyl)oxy]phosphinyl]methyl]- (9CI)
CAS No: 118447-96-4 Catalog No: AG000ITU MDL No:
Product Description
Catalog Number:
AG000ITU
Chemical Name:
Phosphonic acid, [[hydroxy[(3-methyl-3-butenyl)oxy]phosphinyl]methyl]- (9CI)
CAS Number:
118447-96-4
Molecular Formula:
C6H14O6P2
Molecular Weight:
244.1193
IUPAC Name:
[hydroxy(3-methylbut-3-enoxy)phosphoryl]methylphosphonic acid
InChI:
InChI=1S/C6H14O6P2/c1-6(2)3-4-12-14(10,11)5-13(7,8)9/h1,3-5H2,2H3,(H,10,11)(H2,7,8,9)
InChI Key:
OYYYPYWQLRODNN-UHFFFAOYSA-N
SMILES:
CC(=C)CCOP(=O)(CP(=O)(O)O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.12g/mol
Monoisotopic Mass:
244.027g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.