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334952-07-7 | 4-(Methoxycarbonyl)-2-nitrobenzeneacetic acid methyl ester
CAS No: 334952-07-7 Catalog No: AG0039BL MDL No:MFCD18207133
Product Description
Catalog Number:
AG0039BL
Chemical Name:
4-(Methoxycarbonyl)-2-nitrobenzeneacetic acid methyl ester
CAS Number:
334952-07-7
Molecular Formula:
C11H11NO6
Molecular Weight:
253.2081
MDL Number:
MFCD18207133
IUPAC Name:
methyl 4-(2-methoxy-2-oxoethyl)-3-nitrobenzoate
InChI:
InChI=1S/C11H11NO6/c1-17-10(13)6-7-3-4-8(11(14)18-2)5-9(7)12(15)16/h3-5H,6H2,1-2H3
InChI Key:
DCDSLKRPXTVJSA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1[N+](=O)[O-])C(=O)OC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.21g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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