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Home > Nitro Compounds > 898777-65-6
898777-65-6 | ETHYL 8-(4-NITROPHENYL)-8-OXOOCTANOATE
CAS No: 898777-65-6 Catalog No: AG00GYPW MDL No:
Product Description
Catalog Number:
AG00GYPW
Chemical Name:
ETHYL 8-(4-NITROPHENYL)-8-OXOOCTANOATE
CAS Number:
898777-65-6
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
IUPAC Name:
ethyl 8-(4-nitrophenyl)-8-oxooctanoate
InChI:
InChI=1S/C16H21NO5/c1-2-22-16(19)8-6-4-3-5-7-15(18)13-9-11-14(12-10-13)17(20)21/h9-12H,2-8H2,1H3
InChI Key:
JPLUOJMTINSTSU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1ccc(cc1)[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:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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