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7064-16-6 | 3-METHYL-5-(4-PENTEN-1-YNYL)-2-ISOXAZOLINE
CAS No: 7064-16-6 Catalog No: AG005TGV MDL No:
Product Description
Catalog Number:
AG005TGV
Chemical Name:
3-METHYL-5-(4-PENTEN-1-YNYL)-2-ISOXAZOLINE
CAS Number:
7064-16-6
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
3-methyl-5-pent-4-en-1-ynyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C9H11NO/c1-3-4-5-6-9-7-8(2)10-11-9/h3,9H,1,4,7H2,2H3
InChI Key:
ZWSIYVBAMHPQLO-UHFFFAOYSA-N
SMILES:
CC1=NOC(C1)C#CCC=C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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