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205692-61-1 | Propanedial, (5-methoxy-2-nitrophenyl)-, monohydrate (9CI)
CAS No: 205692-61-1 Catalog No: AG002AAC MDL No:MFCD00216510
Product Description
Catalog Number:
AG002AAC
Chemical Name:
Propanedial, (5-methoxy-2-nitrophenyl)-, monohydrate (9CI)
CAS Number:
205692-61-1
Molecular Formula:
C10H11NO6
Molecular Weight:
241.1974
MDL Number:
MFCD00216510
IUPAC Name:
2-(5-methoxy-2-nitrophenyl)propanedial;hydrate
InChI:
InChI=1S/C10H9NO5.H2O/c1-16-8-2-3-10(11(14)15)9(4-8)7(5-12)6-13;/h2-7H,1H3;1H2
InChI Key:
SKQBOFQBGCIELP-UHFFFAOYSA-N
SMILES:
O=CC(c1cc(OC)ccc1[N+](=O)[O-])C=O.O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.199g/mol
Monoisotopic Mass:
241.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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