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98021-61-5 | 2-(prop-2-yn-1-yloxy)acetic acid
CAS No: 98021-61-5 Catalog No: AG01FFUY MDL No:
Product Description
Catalog Number:
AG01FFUY
Chemical Name:
2-(prop-2-yn-1-yloxy)acetic acid
CAS Number:
98021-61-5
IUPAC Name:
2-prop-2-ynoxyacetic acid
InChI:
InChI=1S/C5H6O3/c1-2-3-8-4-5(6)7/h1H,3-4H2,(H,6,7)
InChI Key:
DZQBMVUCILXGLV-UHFFFAOYSA-N
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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