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876305-13-4

876305-13-4 | Benzoic acid, 2-hydroxy-, 2-aminopropyl ester

CAS No: 876305-13-4 Catalog No: AG004HVS MDL No:

Product Description

Catalog Number:
AG004HVS
Chemical Name:
Benzoic acid, 2-hydroxy-, 2-aminopropyl ester
CAS Number:
876305-13-4
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
2-aminopropyl 2-hydroxybenzoate
InChI:
InChI=1S/C10H13NO3/c1-7(11)6-14-10(13)8-4-2-3-5-9(8)12/h2-5,7,12H,6,11H2,1H3
InChI Key:
VWEGEMRHPZIWJA-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1ccccc1O)N

Properties

Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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