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145299-15-6 | 2-Propyn-1-ol, 3,3'-(2-methoxy-5-methyl-1,4-phenylene)bis-, diacetate (9CI)
CAS No: 145299-15-6 Catalog No: AG001KRD MDL No:
Product Description
Catalog Number:
AG001KRD
Chemical Name:
2-Propyn-1-ol, 3,3'-(2-methoxy-5-methyl-1,4-phenylene)bis-, diacetate (9CI)
CAS Number:
145299-15-6
Molecular Formula:
C18H22O7
Molecular Weight:
350.3631
IUPAC Name:
acetic acid;3-[4-(3-hydroxyprop-1-ynyl)-5-methoxy-2-methylphenyl]prop-2-yn-1-ol
InChI:
InChI=1S/C14H14O3.2C2H4O2/c1-11-9-13(6-4-8-16)14(17-2)10-12(11)5-3-7-15;2*1-2(3)4/h9-10,15-16H,7-8H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
FDMNYQVYUJISQU-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.OCC#Cc1cc(OC)c(cc1C)C#CCO
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.367g/mol
Monoisotopic Mass:
350.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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