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Home > Nitro Compounds > 124126-07-4
124126-07-4 | 2,6-Octadienoic acid, 7-nitro-, methyl ester, (2E,6E)-
CAS No: 124126-07-4 Catalog No: AG000LLR MDL No:
Product Description
Catalog Number:
AG000LLR
Chemical Name:
2,6-Octadienoic acid, 7-nitro-, methyl ester, (2E,6E)-
CAS Number:
124126-07-4
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
IUPAC Name:
methyl 7-nitroocta-2,6-dienoate
InChI:
InChI=1S/C9H13NO4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h5-7H,3-4H2,1-2H3
InChI Key:
UUDDOJUFDIJAEO-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CC/C=C(/[N+](=O)[O-])\C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.8
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