200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114628-98-7
114628-98-7 | 1-Butanol, 3-(2-propyn-1-yloxy)-
CAS No: 114628-98-7 Catalog No: AG000EW6 MDL No:
Product Description
Catalog Number:
AG000EW6
Chemical Name:
1-Butanol, 3-(2-propyn-1-yloxy)-
CAS Number:
114628-98-7
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
3-prop-2-ynoxybutan-1-ol
InChI:
InChI=1S/C7H12O2/c1-3-6-9-7(2)4-5-8/h1,7-8H,4-6H2,2H3
InChI Key:
PJQFWMDKQVWHCT-UHFFFAOYSA-N
SMILES:
OCCC(OCC#C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.