2-(2,3-dihydro-1,4-benzodioxin-6-ylformamido)propanoic acid

2-(2,3-dihydro-1,4-benzodioxin-6-ylformamido)propanoic acid

CAS: 1009513-69-2

Formula: C12H13NO5

SMILES: CC(NC(=O)C1=CC2=C(OCCO2)C=C1)C(O)=O

IUPAC: 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]propanoic acid

InChI: InChI=1/C12H13NO5/c1-7(12(15)16)13-11(14)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6-7H,4-5H2,1H3,(H,13,14)(H,15,16)

Composition: C (57.37%), H (5.22%), N (5.58%), O (31.84%)

Molar Mass: 251.238

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.079372523
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BXUOABIVUVVWJH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.57
Topological Polar Surface Area	84.86
Polarizability	23.63
Ring Count	2
Rotatable Bond Count	3

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