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773126-32-2 | 3-amino-3-(oxolan-3-yl)propanoic acid
CAS No: 773126-32-2 Catalog No: AG01B9P4 MDL No:MFCD06206407
Product Description
Catalog Number:
AG01B9P4
Chemical Name:
3-amino-3-(oxolan-3-yl)propanoic acid
CAS Number:
773126-32-2
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD06206407
IUPAC Name:
3-amino-3-(oxolan-3-yl)propanoic acid
InChI:
InChI=1S/C7H13NO3/c8-6(3-7(9)10)5-1-2-11-4-5/h5-6H,1-4,8H2,(H,9,10)
InChI Key:
XXVHEYJMCXECKB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C1COCC1)N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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