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20876-30-6 | Benzeneacetic acid, 4-methoxy-2-nitro-
CAS No: 20876-30-6 Catalog No: AG002JV5 MDL No:MFCD06659779
Product Description
Catalog Number:
AG002JV5
Chemical Name:
Benzeneacetic acid, 4-methoxy-2-nitro-
CAS Number:
20876-30-6
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD06659779
IUPAC Name:
2-(4-methoxy-2-nitrophenyl)acetic acid
InChI:
InChI=1S/C9H9NO5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)
InChI Key:
XCGMUHYKYLADKO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])CC(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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