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102772-04-3

102772-04-3 | L-Alanine, N-[2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-oxopropyl]-, homopolymer (9CI)

CAS No: 102772-04-3 Catalog No: AG0008CK MDL No:

Product Description

Catalog Number:
AG0008CK
Chemical Name:
L-Alanine, N-[2-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-oxopropyl]-, homopolymer (9CI)
CAS Number:
102772-04-3
Molecular Formula:
C11H15N3O5
Molecular Weight:
269.2539
IUPAC Name:
(2S)-2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoylamino]propanoic acid
InChI:
InChI=1S/C11H15N3O5/c1-5-4-14(11(19)13-8(5)15)7(3)9(16)12-6(2)10(17)18/h4,6-7H,1-3H3,(H,12,16)(H,17,18)(H,13,15,19)/t6-,7?/m0/s1
InChI Key:
WVFIOJLOGSZBSO-PKPIPKONSA-N
SMILES:
O=C(C(n1cc(C)c(=O)[nH]c1=O)C)N[C@H](C(=O)O)C

Properties

Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
269.101g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
269.257g/mol
Monoisotopic Mass:
269.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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