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898758-90-2 | 2-CYCLOHEPTANOYLOXAZOLE
CAS No: 898758-90-2 Catalog No: AG006OE6 MDL No:
Product Description
Catalog Number:
AG006OE6
Chemical Name:
2-CYCLOHEPTANOYLOXAZOLE
CAS Number:
898758-90-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
cycloheptyl(1,3-oxazol-2-yl)methanone
InChI:
InChI=1S/C11H15NO2/c13-10(11-12-7-8-14-11)9-5-3-1-2-4-6-9/h7-9H,1-6H2
InChI Key:
XYOQPINQSPWGMM-UHFFFAOYSA-N
SMILES:
O=C(c1ncco1)C1CCCCCC1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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