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88796-29-6 | 2-Propenal, 3-[(5-methyl-2-thienyl)amino]-2-nitro-
CAS No: 88796-29-6 Catalog No: AG004B0S MDL No:
Product Description
Catalog Number:
AG004B0S
Chemical Name:
2-Propenal, 3-[(5-methyl-2-thienyl)amino]-2-nitro-
CAS Number:
88796-29-6
Molecular Formula:
C8H8N2O3S
Molecular Weight:
212.2257
IUPAC Name:
3-[(5-methylthiophen-2-yl)amino]-2-nitroprop-2-enal
InChI:
InChI=1S/C8H8N2O3S/c1-6-2-3-8(14-6)9-4-7(5-11)10(12)13/h2-5,9H,1H3
InChI Key:
AZCGJTAAKIBZOC-UHFFFAOYSA-N
SMILES:
O=CC(=CNc1ccc(s1)C)[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.223g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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