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88715-34-8 | Carbamic acid, (4-ethoxy-3-ethylphenyl)-, 1-methyl-2-propynyl ester
CAS No: 88715-34-8 Catalog No: AG0046Z7 MDL No:
Product Description
Catalog Number:
AG0046Z7
Chemical Name:
Carbamic acid, (4-ethoxy-3-ethylphenyl)-, 1-methyl-2-propynyl ester
CAS Number:
88715-34-8
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
but-3-yn-2-yl N-(4-ethoxy-3-ethylphenyl)carbamate
InChI:
InChI=1S/C15H19NO3/c1-5-11(4)19-15(17)16-13-8-9-14(18-7-3)12(6-2)10-13/h1,8-11H,6-7H2,2-4H3,(H,16,17)
InChI Key:
XYUDFRPFHMSEFU-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1CC)NC(=O)OC(C#C)C
Properties
Complexity:
334
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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