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3775-72-2 | (S)-3-aminobutyric acid
CAS No: 3775-72-2 Catalog No: AG0035TW MDL No:MFCD00270347
Product Description
Catalog Number:
AG0035TW
Chemical Name:
(S)-3-aminobutyric acid
CAS Number:
3775-72-2
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
MDL Number:
MFCD00270347
IUPAC Name:
(3S)-3-aminobutanoic acid
InChI:
InChI=1S/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key:
OQEBBZSWEGYTPG-VKHMYHEASA-N
SMILES:
C[C@@H](CC(=O)O)N
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
103.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
103.121g/mol
Monoisotopic Mass:
103.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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