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Home > Nitro Compounds > 1261943-61-6
1261943-61-6 | 2-(3,4-Methylenedioxyphenyl)-4-nitrobenzoic acid
CAS No: 1261943-61-6 Catalog No: AG00HN4V MDL No:
Product Description
Catalog Number:
AG00HN4V
Chemical Name:
2-(3,4-Methylenedioxyphenyl)-4-nitrobenzoic acid
CAS Number:
1261943-61-6
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-4-nitrobenzoic acid
InChI:
InChI=1S/C14H9NO6/c16-14(17)10-3-2-9(15(18)19)6-11(10)8-1-4-12-13(5-8)21-7-20-12/h1-6H,7H2,(H,16,17)
InChI Key:
YDEWHVMHTGDHGI-UHFFFAOYSA-N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.227g/mol
Monoisotopic Mass:
287.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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