3-amino-3-(2-propoxyphenyl)propanoic acid

3-amino-3-(2-propoxyphenyl)propanoic acid

CAS: 887584-19-2

Formula: C12H17NO3

SMILES: CCCOC1=C(C=CC=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-(2-propoxyphenyl)propanoic acid

InChI: InChI=1/C12H17NO3/c1-2-7-16-11-6-4-3-5-9(11)10(13)8-12(14)15/h3-6,10H,2,7-8,13H2,1H3,(H,14,15)

Composition: C (64.55%), H (7.67%), N (6.27%), O (21.50%)

Molar Mass: 223.272

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	223.120843411
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SUMVISQUFCWXRX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.72
Topological Polar Surface Area	72.55
Polarizability	24.09
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887584-19-2		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00