Home Aminos (3S)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid hydrochloride

(3S)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid hydrochloride

CAS No.:
247093-63-6
Catalog Number:
AG01AB1H
Molecular Formula:
C10H12ClNO4
Molecular Weight:
245.6596
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Product Description
Catalog Number:
AG01AB1H
Chemical Name:
(3S)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid hydrochloride
CAS Number:
247093-63-6
Molecular Formula:
C10H12ClNO4
Molecular Weight:
245.6596
MDL Number:
MFCD17977031
IUPAC Name:
(3S)-3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C10H11NO4.ClH/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8;/h1-3,7H,4-5,11H2,(H,12,13);1H/t7-;/m0./s1
InChI Key:
LDMXUXCAMZBRKT-FJXQXJEOSA-N
SMILES:
OC(=O)C[C@@H](c1ccc2c(c1)OCO2)N.Cl
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
245.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.659g/mol
Monoisotopic Mass:
245.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties