200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 204461-40-5
204461-40-5 | 1-Butanol, 2,2-bis[(1-propen-1-yloxy)methyl]-
CAS No: 204461-40-5 Catalog No: AG0029IL MDL No:
Product Description
Catalog Number:
AG0029IL
Chemical Name:
1-Butanol, 2,2-bis[(1-propen-1-yloxy)methyl]-
CAS Number:
204461-40-5
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
2,2-bis(prop-1-enoxymethyl)butan-1-ol
InChI:
InChI=1S/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,7-8,13H,6,9-11H2,1-3H3
InChI Key:
XVYDEVCPGWBBRA-UHFFFAOYSA-N
SMILES:
CC=COCC(COC=CC)(CO)CC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.