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Home > Nitro Compounds > 6744-85-0
6744-85-0 | 3-NITRO-PHTHALIC ACID 2-METHYL ESTER
CAS No: 6744-85-0 Catalog No: AG00FFCI MDL No:MFCD00090729
Product Description
Catalog Number:
AG00FFCI
Chemical Name:
3-NITRO-PHTHALIC ACID 2-METHYL ESTER
CAS Number:
6744-85-0
MDL Number:
MFCD00090729
IUPAC Name:
2-methoxycarbonyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO6/c1-16-9(13)7-5(8(11)12)3-2-4-6(7)10(14)15/h2-4H,1H3,(H,11,12)
InChI Key:
UTEQVEMDYYOJGM-UHFFFAOYSA-N
NSC Number:
52151
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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