3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

CAS: 682804-02-0

Formula: C11H13NO3

SMILES: NC(CC(O)=O)C1=CC=C2OCCC2=C1

IUPAC: 3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid

InChI: InChI=1/C11H13NO3/c12-9(6-11(13)14)7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9H,3-4,6,12H2,(H,13,14)

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	207.089543283
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UMNOWHBATDPZOA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.76
Topological Polar Surface Area	72.55
Polarizability	21.45
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	682804-02-0		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00