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Home > Nitro Compounds > 936075-72-8
936075-72-8 | 1-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidin-2-one
CAS No: 936075-72-8 Catalog No: AG00JH6N MDL No:MFCD10038439
Product Description
Catalog Number:
AG00JH6N
Chemical Name:
1-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidin-2-one
CAS Number:
936075-72-8
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
MDL Number:
MFCD10038439
IUPAC Name:
1-(6-nitro-1,3-benzodioxol-5-yl)pyrrolidin-2-one
InChI:
InChI=1S/C11H10N2O5/c14-11-2-1-3-12(11)7-4-9-10(18-6-17-9)5-8(7)13(15)16/h4-5H,1-3,6H2
InChI Key:
GJSNCZAYCGUOEH-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1cc2OCOc2cc1[N+](=O)[O-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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