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14579-30-7 | 1-Propyne, 3-[(2-chloroethoxy)methoxy]-
CAS No: 14579-30-7 Catalog No: AG001DEO MDL No:
Product Description
Catalog Number:
AG001DEO
Chemical Name:
1-Propyne, 3-[(2-chloroethoxy)methoxy]-
CAS Number:
14579-30-7
Molecular Formula:
C6H9ClO2
Molecular Weight:
148.5875
IUPAC Name:
3-(2-chloroethoxymethoxy)prop-1-yne
InChI:
InChI=1S/C6H9ClO2/c1-2-4-8-6-9-5-3-7/h1H,3-6H2
InChI Key:
FMLAMWCJWCKCAJ-UHFFFAOYSA-N
SMILES:
ClCCOCOCC#C
Properties
Complexity:
94.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.029g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.586g/mol
Monoisotopic Mass:
148.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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