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117427-59-5 | Benzeneacetic acid, α-amino-4-hydroxy-2-methoxy-, (R)- (9CI)
CAS No: 117427-59-5 Catalog No: AG000EBE MDL No:
Product Description
Catalog Number:
AG000EBE
Chemical Name:
Benzeneacetic acid, α-amino-4-hydroxy-2-methoxy-, (R)- (9CI)
CAS Number:
117427-59-5
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
IUPAC Name:
2-amino-2-(4-hydroxy-2-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H11NO4/c1-14-7-4-5(11)2-3-6(7)8(10)9(12)13/h2-4,8,11H,10H2,1H3,(H,12,13)
InChI Key:
XLYKOYCJLKZBIA-UHFFFAOYSA-N
SMILES:
COc1cc(O)ccc1[C@H](C(=O)O)N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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