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3270-89-1

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Basic Information
CAS No.: 3270-89-1
Name: 3-AMINO-3-(2-THIENYL)PROPANOIC ACID
Article Data: 18
Molecular Structure:
Molecular Structure of 3270-89-1 (3-AMINO-3-(2-THIENYL)PROPANOIC ACID)
Formula: C7H9NO2S
Molecular Weight: 171.22
Synonyms: 3-Amino-3-thiophen-2-ylpropanoic acid;
Density: 1.345 g/cm3
Melting Point: 205-207 °C
Boiling Point: 327.6 °C at 760mm Hg
Flash Point: 151.9 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 91.56000
LogP: 1.92290
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Specification

The 2-Thiophenepropanoicacid, b-amino-, also known as NSC67429, is the organic compound with the formula C7H9NO2S. It belongs to the product category of B-Amino. With the CAS registry number 3270-89-1, its IUPAC name is 3-amino-3-thiophen-2-ylpropanoic acid.

Physical properties of 2-Thiophenepropanoicacid, b-amino-: (1)XLogP3-AA: -2.3; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 3; (5)Exact Mass: 171.035399; (6)MonoIsotopic Mass: 171.035399; (7)Topological Polar Surface Area: 91.6; (8)Heavy Atom Count: 11; (9)Formal Charge: 0; (10)Complexity: 151; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(CC(=O)O)N
(2)InChI: InChI=1S/C7H9NO2S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)
(3)InChIKey: GYAYLYLPTPXESE-UHFFFAOYSA-N