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824424-72-8 | Butanoic acid, 3-amino-4-methoxy-
CAS No: 824424-72-8 Catalog No: AG004W73 MDL No:MFCD21340313
Product Description
Catalog Number:
AG004W73
Chemical Name:
Butanoic acid, 3-amino-4-methoxy-
CAS Number:
824424-72-8
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
MDL Number:
MFCD21340313
IUPAC Name:
3-amino-4-methoxybutanoic acid
InChI:
InChI=1S/C5H11NO3/c1-9-3-4(6)2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChI Key:
YDUMIOQVLFELGB-UHFFFAOYSA-N
SMILES:
COCC(CC(=O)O)N
Properties
Complexity:
94.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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