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228111-40-8 | 4-nitrophenyl prop-2-yn-1-yl carbonate
CAS No: 228111-40-8 Catalog No: AG01DK83 MDL No:
Product Description
Catalog Number:
AG01DK83
Chemical Name:
4-nitrophenyl prop-2-yn-1-yl carbonate
CAS Number:
228111-40-8
Molecular Formula:
C10H7NO5
Molecular Weight:
221.1663
IUPAC Name:
(4-nitrophenyl) prop-2-ynyl carbonate
InChI:
InChI=1S/C10H7NO5/c1-2-7-15-10(12)16-9-5-3-8(4-6-9)11(13)14/h1,3-6H,7H2
InChI Key:
ZFSTXYJGQDNJRW-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.168g/mol
Monoisotopic Mass:
221.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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