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89753-85-5 | Acetic acid, [[[(4-nitrophenyl)methoxy]carbonyl]oxy]-
CAS No: 89753-85-5 Catalog No: AG0040B9 MDL No:
Product Description
Catalog Number:
AG0040B9
Chemical Name:
Acetic acid, [[[(4-nitrophenyl)methoxy]carbonyl]oxy]-
CAS Number:
89753-85-5
Molecular Formula:
C10H9NO7
Molecular Weight:
255.1810
IUPAC Name:
2-[(4-nitrophenyl)methoxycarbonyloxy]acetic acid
InChI:
InChI=1S/C10H9NO7/c12-9(13)6-18-10(14)17-5-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)
InChI Key:
GGHAOSLSOCDKQF-UHFFFAOYSA-N
SMILES:
OC(=O)COC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.038g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.182g/mol
Monoisotopic Mass:
255.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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