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167887-37-8 | Benzenepropanoic acid, β-amino-3-methoxy-4-(phenylmethoxy)-
CAS No: 167887-37-8 Catalog No: AG001XO5 MDL No:
Product Description
Catalog Number:
AG001XO5
Chemical Name:
Benzenepropanoic acid, β-amino-3-methoxy-4-(phenylmethoxy)-
CAS Number:
167887-37-8
Molecular Formula:
C17H19NO4
Molecular Weight:
301.3371
IUPAC Name:
3-amino-3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
InChI:
InChI=1S/C17H19NO4/c1-21-16-9-13(14(18)10-17(19)20)7-8-15(16)22-11-12-5-3-2-4-6-12/h2-9,14H,10-11,18H2,1H3,(H,19,20)
InChI Key:
ZTBVHMNMNSGPKJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1ccccc1)C(CC(=O)O)N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.342g/mol
Monoisotopic Mass:
301.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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