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14789-98-1 | Carbamic acid, [2-(acetyloxy)-3-phenoxypropyl]-, ethyl ester (9CI)
CAS No: 14789-98-1 Catalog No: AG001F91 MDL No:
Product Description
Catalog Number:
AG001F91
Chemical Name:
Carbamic acid, [2-(acetyloxy)-3-phenoxypropyl]-, ethyl ester (9CI)
CAS Number:
14789-98-1
Molecular Formula:
C14H19NO5
Molecular Weight:
281.3044
IUPAC Name:
[1-(ethoxycarbonylamino)-3-phenoxypropan-2-yl] acetate
InChI:
InChI=1S/C14H19NO5/c1-3-18-14(17)15-9-13(20-11(2)16)10-19-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,17)
InChI Key:
HQZGIIHZLFDFEC-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCC(OC(=O)C)COc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.308g/mol
Monoisotopic Mass:
281.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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