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68208-19-5 | 3-Amino-3-(3-methoxyphenyl);propanoic acid
CAS No: 68208-19-5 Catalog No: AG003IUS MDL No:MFCD00462569
Product Description
Catalog Number:
AG003IUS
Chemical Name:
3-Amino-3-(3-methoxyphenyl);propanoic acid
CAS Number:
68208-19-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD00462569
IUPAC Name:
3-amino-3-(3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H13NO3/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChI Key:
FGMPGCPZEOXEES-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(CC(=O)O)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
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