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Home > Nitro Compounds > 848780-29-0
848780-29-0 | Naphtho[1,2-b]furan, 2,3-dihydro-3-methyl-5-nitro-
CAS No: 848780-29-0 Catalog No: AG004QMO MDL No:
Product Description
Catalog Number:
AG004QMO
Chemical Name:
Naphtho[1,2-b]furan, 2,3-dihydro-3-methyl-5-nitro-
CAS Number:
848780-29-0
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
IUPAC Name:
3-methyl-5-nitro-2,3-dihydrobenzo[g][1]benzofuran
InChI:
InChI=1S/C13H11NO3/c1-8-7-17-13-10-5-3-2-4-9(10)12(14(15)16)6-11(8)13/h2-6,8H,7H2,1H3
InChI Key:
KAUNHTJQYIAMFZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2C(C)COc2c2c1cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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