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1108683-66-4 | (R)-4-(1-Aminoethyl)benzoic acid
CAS No: 1108683-66-4 Catalog No: AG003C9U MDL No:MFCD06761798
Product Description
Catalog Number:
AG003C9U
Chemical Name:
(R)-4-(1-Aminoethyl)benzoic acid
CAS Number:
1108683-66-4
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD06761798
IUPAC Name:
4-[(1R)-1-aminoethyl]benzoic acid
InChI:
InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
InChI Key:
NDMBVGSUFFPAFE-ZCFIWIBFSA-N
SMILES:
C[C@H](c1ccc(cc1)C(=O)O)N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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