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127424-86-6 | Benzenepropanoic acid, β-(aminomethyl)-3,4,5-trimethoxy-
CAS No: 127424-86-6 Catalog No: AG000X2W MDL No:
Product Description
Catalog Number:
AG000X2W
Chemical Name:
Benzenepropanoic acid, β-(aminomethyl)-3,4,5-trimethoxy-
CAS Number:
127424-86-6
Molecular Formula:
C13H19NO5
Molecular Weight:
269.2937
IUPAC Name:
4-amino-3-(3,4,5-trimethoxyphenyl)butanoic acid
InChI:
InChI=1S/C13H19NO5/c1-17-10-4-8(9(7-14)6-12(15)16)5-11(18-2)13(10)19-3/h4-5,9H,6-7,14H2,1-3H3,(H,15,16)
InChI Key:
BNLQQJKEYZRUDQ-UHFFFAOYSA-N
SMILES:
NCC(c1cc(OC)c(c(c1)OC)OC)CC(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.297g/mol
Monoisotopic Mass:
269.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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