3-amino-3-(3-ethoxy-4-methoxyphenyl)propanoic acid

3-amino-3-(3-ethoxy-4-methoxyphenyl)propanoic acid

CAS: 201408-36-8

Formula: C12H17NO4

SMILES: CCOC1=C(OC)C=CC(=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-(3-ethoxy-4-methoxyphenyl)propanoic acid

InChI: InChI=1/C12H17NO4/c1-3-17-11-6-8(4-5-10(11)16-2)9(13)7-12(14)15/h4-6,9H,3,7,13H2,1-2H3,(H,14,15)

Composition: C (60.24%), H (7.16%), N (5.85%), O (26.75%)

Molar Mass: 239.271

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	239.115758031
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	JTQCVSLHXUMLGF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.66
Topological Polar Surface Area	81.78
Polarizability	24.79
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	201408-36-8		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00