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1379185-95-1 | Benzenepropanoic acid, 3-amino-4-ethyl-
CAS No: 1379185-95-1 Catalog No: AG00143V MDL No:
Product Description
Catalog Number:
AG00143V
Chemical Name:
Benzenepropanoic acid, 3-amino-4-ethyl-
CAS Number:
1379185-95-1
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
3-(3-amino-4-ethylphenyl)propanoic acid
InChI:
InChI=1S/C11H15NO2/c1-2-9-5-3-8(7-10(9)12)4-6-11(13)14/h3,5,7H,2,4,6,12H2,1H3,(H,13,14)
InChI Key:
GBIRWKLKMGZKQS-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1N)CCC(=O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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