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80427-86-7 | 6-Crotonoyl-3-methylbenzoxazol-2(3H)-one
CAS No: 80427-86-7 Catalog No: AG00GNPB MDL No:
Product Description
Catalog Number:
AG00GNPB
Chemical Name:
6-Crotonoyl-3-methylbenzoxazol-2(3H)-one
CAS Number:
80427-86-7
IUPAC Name:
6-[(E)-but-2-enoyl]-3-methyl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C12H11NO3/c1-3-4-10(14)8-5-6-9-11(7-8)16-12(15)13(9)2/h3-7H,1-2H3/b4-3+
InChI Key:
AXAAGKOAYVSRIQ-ONEGZZNKSA-N
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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