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13737-90-1

13737-90-1 | Benzoic acid, 5-amino-2-butoxy-

CAS No: 13737-90-1 Catalog No: AG00136S MDL No:

Product Description

Catalog Number:
AG00136S
Chemical Name:
Benzoic acid, 5-amino-2-butoxy-
CAS Number:
13737-90-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
5-amino-2-butoxybenzoic acid
InChI:
InChI=1S/C11H15NO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChI Key:
FOHJNOOCTRAVRJ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1C(=O)O)N

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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