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178425-91-7

178425-91-7 | β-Alanine, N-(4-methoxyphenyl)-

CAS No: 178425-91-7 Catalog No: AG00261N MDL No:MFCD03988000

Product Description

Catalog Number:
AG00261N
Chemical Name:
β-Alanine, N-(4-methoxyphenyl)-
CAS Number:
178425-91-7
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD03988000
IUPAC Name:
3-(4-methoxyanilino)propanoic acid
InChI:
InChI=1S/C10H13NO3/c1-14-9-4-2-8(3-5-9)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChI Key:
HLBRZWKCTRYLRH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NCCC(=O)O

Properties

Complexity:
176  
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:
5  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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