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Home > Nitro Compounds > 37629-58-6
37629-58-6 | 1-NITRO-1-METHYL-2-NAPHTYLETHENE
CAS No: 37629-58-6 Catalog No: AG01E66I MDL No:
Product Description
Catalog Number:
AG01E66I
Chemical Name:
1-NITRO-1-METHYL-2-NAPHTYLETHENE
CAS Number:
37629-58-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
2-[(E)-2-nitroprop-1-enyl]naphthalene
InChI:
InChI=1S/C13H11NO2/c1-10(14(15)16)8-11-6-7-12-4-2-3-5-13(12)9-11/h2-9H,1H3/b10-8+
InChI Key:
DTZVIBZSHDZFPP-CSKARUKUSA-N
SMILES:
[O-][N+](=O)/C(=C/c1ccc2c(c1)cccc2)/C
NSC Number:
121155
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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