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161466-30-4

161466-30-4 | Benzenebutanoic acid, 3-amino-

CAS No: 161466-30-4 Catalog No: AG001SHY MDL No:MFCD19313804

Product Description

Catalog Number:
AG001SHY
Chemical Name:
Benzenebutanoic acid, 3-amino-
CAS Number:
161466-30-4
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD19313804
IUPAC Name:
4-(3-aminophenyl)butanoic acid
InChI:
InChI=1S/C10H13NO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6,11H2,(H,12,13)
InChI Key:
WJWRZQCZBPZJTE-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1cccc(c1)N

Properties

Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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