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Home > Nitro Compounds > 6952-67-6
6952-67-6 | 2-(3-Nitrophenyl)-1,3-dioxolane
CAS No: 6952-67-6 Catalog No: AG005KWO MDL No:MFCD00020899
Product Description
Catalog Number:
AG005KWO
Chemical Name:
2-(3-Nitrophenyl)-1,3-dioxolane
CAS Number:
6952-67-6
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00020899
IUPAC Name:
2-(3-nitrophenyl)-1,3-dioxolane
InChI:
InChI=1S/C9H9NO4/c11-10(12)8-3-1-2-7(6-8)9-13-4-5-14-9/h1-3,6,9H,4-5H2
InChI Key:
YOGPCAYIEHLIMG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1OCCO1
NSC Number:
47034
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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