3- (3-Nitrophenyl) propionic acid

CAT: 0024-sc-283550Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-283550Size:1 g

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CAS Number

1664-57-9

Chemical Information

3-(3-Nitrophenyl)propionic acid

CAS Number	1664-57-9
PubChem CID	2760224
IUPAC Name	3-(3-nitrophenyl)propanoic acid
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	1.8
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	223

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C9H9NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,4-5H2,(H,11,12)

InChIKey

ZOANOABZUNJOJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1664-57-9

CID: 2760224

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-260666	3-Acetylamino-3- (4-nitrophenyl) propionic acid
sc-260666A	3-Acetylamino-3- (4-nitrophenyl) propionic acid
sc-294677A	Fmoc- (S) -3-amino-3- (2-nitrophenyl) propionic acid
sc-294677B	Fmoc- (S) -3-amino-3- (2-nitrophenyl) propionic acid
sc-293613	Boc- (S) -3-amino-3- (4-nitrophenyl) propionic acid
sc-294701A	Fmoc- (S) -3-amino-3- (4-nitrophenyl) propionic acid
sc-294664A	Fmoc- (R) -3-amino-3- (4-nitrophenyl) propionic acid
sc-294664	Fmoc- (R) -3-amino-3- (4-nitrophenyl) propionic acid
sc-272240	(R) -3-Boc-amino-3- (4-nitrophenyl) propionic acid
sc-294639	Fmoc- (R) -3-amino-3- (2-nitrophenyl) propionic acid

Catalog	Name
OR350294-01	3- (3-Nitrophenyl) propionic acid
KGA87740-01	3- (4-Fluoro-3-nitrophenyl) propionic acid
260837-01	S-3-Amino-3- (3-nitrophenyl) propionic acid
OR913926-01	(S) -3-Amino-3- (3-nitrophenyl) propionic acid
OR1055555-01	(R) -3-Amino-3- (3-nitrophenyl) propionic acid
285425-01	2- (4-Nitrophenyl) propionic acid
TRC-N504495-5G	2-(4-Nitrophenyl)propionic Acid
265490-01	Boc- (R) -3-amino-3- (3-nitrophenyl) propionic acid
OR1035774-01	Fmoc- (RS) -3-amino-3- (3-nitrophenyl) -propionic acid
277613-01	Fmoc- (R) -3-amino-3- (3-nitrophenyl) propionic acid