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88470-18-2 | 1-Pentyne, 5-propoxy-
CAS No: 88470-18-2 Catalog No: AG004AD5 MDL No:
Product Description
Catalog Number:
AG004AD5
Chemical Name:
1-Pentyne, 5-propoxy-
CAS Number:
88470-18-2
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
5-propoxypent-1-yne
InChI:
InChI=1S/C8H14O/c1-3-5-6-8-9-7-4-2/h1H,4-8H2,2H3
InChI Key:
YSAVBBGBLWMCLI-UHFFFAOYSA-N
SMILES:
CCCOCCCC#C
Properties
Complexity:
88
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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