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Home > Nitro Compounds > 285120-07-2
285120-07-2 | Carbonic acid, (4-hydroxyphenyl)methyl 4-nitrophenyl ester
CAS No: 285120-07-2 Catalog No: AG002VKO MDL No:
Product Description
Catalog Number:
AG002VKO
Chemical Name:
Carbonic acid, (4-hydroxyphenyl)methyl 4-nitrophenyl ester
CAS Number:
285120-07-2
Molecular Formula:
C14H11NO6
Molecular Weight:
289.2402
IUPAC Name:
(4-hydroxyphenyl)methyl (4-nitrophenyl) carbonate
InChI:
InChI=1S/C14H11NO6/c16-12-5-1-10(2-6-12)9-20-14(17)21-13-7-3-11(4-8-13)15(18)19/h1-8,16H,9H2
InChI Key:
ZRTHTTUSXWJFOH-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OCc1ccc(cc1)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.243g/mol
Monoisotopic Mass:
289.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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