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Home > Nitro Compounds > 37524-17-7
37524-17-7 | 2-methyl-3-(3-nitrophenyl)prop-2-enal
CAS No: 37524-17-7 Catalog No: AG01B1KH MDL No:MFCD21851798
Product Description
Catalog Number:
AG01B1KH
Chemical Name:
2-methyl-3-(3-nitrophenyl)prop-2-enal
CAS Number:
37524-17-7
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD21851798
IUPAC Name:
2-methyl-3-(3-nitrophenyl)prop-2-enal
InChI:
InChI=1S/C10H9NO3/c1-8(7-12)5-9-3-2-4-10(6-9)11(13)14/h2-7H,1H3
InChI Key:
PDCBGZBUKZHURR-UHFFFAOYSA-N
SMILES:
O=CC(=Cc1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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