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88310-54-7 | Carbamic acid, ethenyl-, 2-[(1-methoxy-2-propynyl)oxy]phenyl ester
CAS No: 88310-54-7 Catalog No: AG0048Q3 MDL No:
Product Description
Catalog Number:
AG0048Q3
Chemical Name:
Carbamic acid, ethenyl-, 2-[(1-methoxy-2-propynyl)oxy]phenyl ester
CAS Number:
88310-54-7
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
IUPAC Name:
[2-(1-methoxyprop-2-ynoxy)phenyl] N-ethenylcarbamate
InChI:
InChI=1S/C13H13NO4/c1-4-12(16-3)17-10-8-6-7-9-11(10)18-13(15)14-5-2/h1,5-9,12H,2H2,3H3,(H,14,15)
InChI Key:
ZRTQAJPULJNBSF-UHFFFAOYSA-N
SMILES:
C=CNC(=O)Oc1ccccc1OC(C#C)OC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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