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Home > Nitro Compounds > 83935-54-0
83935-54-0 | Heptanedioic acid,4-(3-methoxy-3-oxopropyl)-4-nitro-, 1,7-dimethyl ester
CAS No: 83935-54-0 Catalog No: AG004R5T MDL No:MFCD07357282
Product Description
Catalog Number:
AG004R5T
Chemical Name:
Heptanedioic acid,4-(3-methoxy-3-oxopropyl)-4-nitro-, 1,7-dimethyl ester
CAS Number:
83935-54-0
Molecular Formula:
C13H21NO8
Molecular Weight:
319.3077
MDL Number:
MFCD07357282
IUPAC Name:
dimethyl 4-(3-methoxy-3-oxopropyl)-4-nitroheptanedioate
InChI:
InChI=1S/C13H21NO8/c1-20-10(15)4-7-13(14(18)19,8-5-11(16)21-2)9-6-12(17)22-3/h4-9H2,1-3H3
InChI Key:
FORHCCKVQQRGBQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC([N+](=O)[O-])(CCC(=O)OC)CCC(=O)OC
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.31g/mol
Monoisotopic Mass:
319.127g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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