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24642-05-5 | 2-Pentyne, 4-methoxy-4-methyl-
CAS No: 24642-05-5 Catalog No: AG002OWF MDL No:
Product Description
Catalog Number:
AG002OWF
Chemical Name:
2-Pentyne, 4-methoxy-4-methyl-
CAS Number:
24642-05-5
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
4-methoxy-4-methylpent-2-yne
InChI:
InChI=1S/C7H12O/c1-5-6-7(2,3)8-4/h1-4H3
InChI Key:
OWIHGBPMYWUJCG-UHFFFAOYSA-N
SMILES:
CC#CC(OC)(C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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