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88715-40-6 | Carbamic acid, [3-ethyl-4-(2-propynyloxy)phenyl]-, 1-methylethyl ester
CAS No: 88715-40-6 Catalog No: AG0045U4 MDL No:
Product Description
Catalog Number:
AG0045U4
Chemical Name:
Carbamic acid, [3-ethyl-4-(2-propynyloxy)phenyl]-, 1-methylethyl ester
CAS Number:
88715-40-6
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
propan-2-yl N-(3-ethyl-4-prop-2-ynoxyphenyl)carbamate
InChI:
InChI=1S/C15H19NO3/c1-5-9-18-14-8-7-13(10-12(14)6-2)16-15(17)19-11(3)4/h1,7-8,10-11H,6,9H2,2-4H3,(H,16,17)
InChI Key:
YEGZFIFNUFOVJS-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1CC)NC(=O)OC(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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