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94405-06-8 | Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-
CAS No: 94405-06-8 Catalog No: AG00H7KQ MDL No:MFCD08063014
Product Description
Catalog Number:
AG00H7KQ
Chemical Name:
Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-
CAS Number:
94405-06-8
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD08063014
IUPAC Name:
3-methyl-5-(1H-pyrrol-2-yl)-1,2-oxazole
InChI:
InChI=1S/C8H8N2O/c1-6-5-8(11-10-6)7-3-2-4-9-7/h2-5,9H,1H3
InChI Key:
RDYWXDGLHVIVTL-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)c1ccc[nH]1
NSC Number:
694105
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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