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Home > Nitro Compounds > 1135282-87-9
1135282-87-9 | (2E)-3-(5-nitro-1-benzofuran-2-yl)prop-2-enoic acid
CAS No: 1135282-87-9 Catalog No: AG00IRLV MDL No:MFCD11840959
Product Description
Catalog Number:
AG00IRLV
Chemical Name:
(2E)-3-(5-nitro-1-benzofuran-2-yl)prop-2-enoic acid
CAS Number:
1135282-87-9
Molecular Formula:
C11H7NO5
Molecular Weight:
233.1770
MDL Number:
MFCD11840959
IUPAC Name:
3-(5-nitro-1-benzofuran-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H7NO5/c13-11(14)4-2-9-6-7-5-8(12(15)16)1-3-10(7)17-9/h1-6H,(H,13,14)
InChI Key:
JMNMWGHQIABWLM-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.179g/mol
Monoisotopic Mass:
233.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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