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114142-22-2 | 3-Hexenamide, N-[[(phenylmethoxy)carbonyl]oxy]-, (E)- (9CI)
CAS No: 114142-22-2 Catalog No: AG000ANS MDL No:
Product Description
Catalog Number:
AG000ANS
Chemical Name:
3-Hexenamide, N-[[(phenylmethoxy)carbonyl]oxy]-, (E)- (9CI)
CAS Number:
114142-22-2
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
benzyl (hex-3-enoylamino) carbonate
InChI:
InChI=1S/C14H17NO4/c1-2-3-5-10-13(16)15-19-14(17)18-11-12-8-6-4-7-9-12/h3-9H,2,10-11H2,1H3,(H,15,16)
InChI Key:
MEJSPSOUZALHGP-UHFFFAOYSA-N
SMILES:
CC/C=C/CC(=O)NOC(=O)OCc1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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