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1220710-30-4 | 1,3-Benzodioxole-5-propanoic acid, α-amino-2,2-dimethyl-, (αS)-
CAS No: 1220710-30-4 Catalog No: AG0016PM MDL No:
Product Description
Catalog Number:
AG0016PM
Chemical Name:
1,3-Benzodioxole-5-propanoic acid, α-amino-2,2-dimethyl-, (αS)-
CAS Number:
1220710-30-4
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
(2S)-2-amino-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanoic acid
InChI:
InChI=1S/C12H15NO4/c1-12(2)16-9-4-3-7(6-10(9)17-12)5-8(13)11(14)15/h3-4,6,8H,5,13H2,1-2H3,(H,14,15)/t8-/m0/s1
InChI Key:
PFPPGLZXDDFWGF-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1ccc2c(c1)OC(O2)(C)C)N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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