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14669-15-9 | 2-Propanol, 1-(phenylmethoxy)-3-(2-propyn-1-yloxy)-, 2-carbamate
CAS No: 14669-15-9 Catalog No: AG001E8H MDL No:
Product Description
Catalog Number:
AG001E8H
Chemical Name:
2-Propanol, 1-(phenylmethoxy)-3-(2-propyn-1-yloxy)-, 2-carbamate
CAS Number:
14669-15-9
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
(1-phenylmethoxy-3-prop-2-ynoxypropan-2-yl) carbamate
InChI:
InChI=1S/C14H17NO4/c1-2-8-17-10-13(19-14(15)16)11-18-9-12-6-4-3-5-7-12/h1,3-7,13H,8-11H2,(H2,15,16)
InChI Key:
USSSRTPJQOMRMA-UHFFFAOYSA-N
SMILES:
C#CCOCC(OC(=O)N)COCc1ccccc1
Properties
Complexity:
304
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:
9
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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