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123312-23-2

123312-23-2 | 1-(3-Methoxyphenyl)-2-nitroethane

CAS No: 123312-23-2 Catalog No: AG01EAU7 MDL No:

Product Description

Catalog Number:
AG01EAU7
Chemical Name:
1-(3-Methoxyphenyl)-2-nitroethane
CAS Number:
123312-23-2
IUPAC Name:
1-methoxy-3-(2-nitroethyl)benzene
InChI:
InChI=1S/C9H11NO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7H,5-6H2,1H3
InChI Key:
WDGWVDOWIBYWIE-UHFFFAOYSA-N

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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