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3062-19-9

3062-19-9 | Serine, alanyl-

CAS No: 3062-19-9 Catalog No: AG0030P6 MDL No:MFCD00025553

Product Description

Catalog Number:
AG0030P6
Chemical Name:
Serine, alanyl-
CAS Number:
3062-19-9
Molecular Formula:
C6H12N2O4
Molecular Weight:
176.1705
MDL Number:
MFCD00025553
IUPAC Name:
2-(2-aminopropanoylamino)-3-hydroxypropanoic acid
InChI:
InChI=1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)
InChI Key:
IPWKGIFRRBGCJO-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@@H](N)C
EC Number:
221-306-2

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
176.172g/mol
Monoisotopic Mass:
176.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3  

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