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17869-81-7 | 1-Propyne, 3-(methoxymethoxy)-
CAS No: 17869-81-7 Catalog No: AG002691 MDL No:
Product Description
Catalog Number:
AG002691
Chemical Name:
1-Propyne, 3-(methoxymethoxy)-
CAS Number:
17869-81-7
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
2-prop-2-ynoxyethanol
InChI:
InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2
InChI Key:
GHGCQQRMJCSIBQ-UHFFFAOYSA-N
SMILES:
COCOCC#C
EC Number:
223-601-1
UNII:
2EQ7D0F9DR
Properties
Complexity:
69.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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