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

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

CAS: 77141-01-6

Formula: C10H12ClNO4

SMILES: Cl.N[C@@H](CC1=CC=C2OCOC2=C1)C(O)=O

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

InChI: InChI=1S/C10H11NO4.ClH/c11-7(10(12)13)3-6-1-2-8-9(4-6)15-5-14-8;/h1-2,4,7H,3,5,11H2,(H,12,13);1H/t7-;/m0./s1

Composition: C (48.89%), H (4.92%), Cl (14.43%), N (5.70%), O (26.05%)

Molar Mass: 245.66

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	245.0454856
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FECWNUOCBBWMGV-FJXQXJEOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.88
Topological Polar Surface Area	81.78
Polarizability	20.41
Ring Count	2
Rotatable Bond Count	3

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