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7157-79-1 | 3-METHYL-5-(1-PENTYNYL)-2-ISOXAZOLINE
CAS No: 7157-79-1 Catalog No: AG0064TN MDL No:
Product Description
Catalog Number:
AG0064TN
Chemical Name:
3-METHYL-5-(1-PENTYNYL)-2-ISOXAZOLINE
CAS Number:
7157-79-1
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
3-methyl-5-pent-1-ynyl-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C9H13NO/c1-3-4-5-6-9-7-8(2)10-11-9/h9H,3-4,7H2,1-2H3
InChI Key:
DWQSSVVWRLRGFH-UHFFFAOYSA-N
SMILES:
CCCC#CC1ON=C(C1)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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