200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13279-94-2
13279-94-2 | 1-Butyne, 1-methoxy-
CAS No: 13279-94-2 Catalog No: AG00116N MDL No:
Product Description
Catalog Number:
AG00116N
Chemical Name:
1-Butyne, 1-methoxy-
CAS Number:
13279-94-2
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
IUPAC Name:
1-methoxybut-1-yne
InChI:
InChI=1S/C5H8O/c1-3-4-5-6-2/h3H2,1-2H3
InChI Key:
LWOLUVLUAVXOMH-UHFFFAOYSA-N
SMILES:
CCC#COC
Properties
Complexity:
72.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.