Home Nitros 2-(3-nitrophenyl)propanoic acid

2-(3-nitrophenyl)propanoic acid

CAS No.:
21762-10-7
Catalog Number:
AG01A1OE
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01A1OE
Chemical Name:
2-(3-nitrophenyl)propanoic acid
CAS Number:
21762-10-7
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD11036895
IUPAC Name:
2-(3-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H9NO4/c1-6(9(11)12)7-3-2-4-8(5-7)10(13)14/h2-6H,1H3,(H,11,12)
InChI Key:
MSCZZRXBIBUPKG-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties