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88788-14-1 | Acetamide, N-[4-[[(formyloxy)hydroxycycloheptyl]oxy]phenyl]-
CAS No: 88788-14-1 Catalog No: AG004CYO MDL No:
Product Description
Catalog Number:
AG004CYO
Chemical Name:
Acetamide, N-[4-[[(formyloxy)hydroxycycloheptyl]oxy]phenyl]-
CAS Number:
88788-14-1
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
IUPAC Name:
[2-(4-acetamidophenoxy)-2-hydroxycycloheptyl] formate
InChI:
InChI=1S/C16H21NO5/c1-12(19)17-13-6-8-14(9-7-13)22-16(20)10-4-2-3-5-15(16)21-11-18/h6-9,11,15,20H,2-5,10H2,1H3,(H,17,19)
InChI Key:
UMUPCRZIUFEHTO-UHFFFAOYSA-N
SMILES:
O=COC1CCCCCC1(O)Oc1ccc(cc1)NC(=O)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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