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56-12-2 | 4-Aminobutyric acid
CAS No: 56-12-2 Catalog No: AG003KR6 MDL No:MFCD00008226
Product Description
Catalog Number:
AG003KR6
Chemical Name:
4-Aminobutyric acid
CAS Number:
56-12-2
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
MDL Number:
MFCD00008226
IUPAC Name:
4-aminobutanoic acid
InChI:
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChI Key:
BTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES:
NCCCC(=O)O
EC Number:
200-258-6
UNII:
2ACZ6IPC6I
FEMA Number:
4288
Properties
Complexity:
62.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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