3-amino-3-[3,4-bis(benzyloxy)phenyl]propanoic acid

3-amino-3-[3,4-bis(benzyloxy)phenyl]propanoic acid

CAS: 213192-60-0

Formula: C23H23NO4

SMILES: NC(CC(O)=O)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1

IUPAC: 3-amino-3-[3,4-bis(benzyloxy)phenyl]propanoic acid

InChI: InChI=1/C23H23NO4/c24-20(14-23(25)26)19-11-12-21(27-15-17-7-3-1-4-8-17)22(13-19)28-16-18-9-5-2-6-10-18/h1-13,20H,14-16,24H2,(H,25,26)

Composition: C (73.19%), H (6.14%), N (3.71%), O (16.96%)

Molar Mass: 377.44

Atom Count: 51

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	377.162708225
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KYSDMSUOMNGPCH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.14
Topological Polar Surface Area	81.78
Polarizability	42.1
Ring Count	3
Rotatable Bond Count	9

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95%	<5 Days	213192-60-0		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00