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18857-02-8 | 1-Butyne, 3-methoxy-
CAS No: 18857-02-8 Catalog No: AG002GZW MDL No:
Product Description
Catalog Number:
AG002GZW
Chemical Name:
1-Butyne, 3-methoxy-
CAS Number:
18857-02-8
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
IUPAC Name:
3-methoxybut-1-yne
InChI:
InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3
InChI Key:
IQZDPIFYYGRHQI-UHFFFAOYSA-N
SMILES:
CC(C#C)OC
NSC Number:
295556
Properties
Complexity:
67.3
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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