Home Other Building Blocks 3-(2,2-diethoxyethoxy)prop-1-yne

3-(2,2-diethoxyethoxy)prop-1-yne

CAS No.:
98166-29-1
Catalog Number:
AG01B6CE
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01B6CE
Chemical Name:
3-(2,2-diethoxyethoxy)prop-1-yne
CAS Number:
98166-29-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD27935195
IUPAC Name:
3-(2,2-diethoxyethoxy)prop-1-yne
InChI:
InChI=1S/C9H16O3/c1-4-7-10-8-9(11-5-2)12-6-3/h1,9H,5-8H2,2-3H3
InChI Key:
KLXXQIJFXGGJDF-UHFFFAOYSA-N
SMILES:
CCOC(COCC#C)OCC
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties