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1260004-46-3 | Benzeneacetic acid, α-amino-3-chloro-4-hydroxy-5-methoxy-
CAS No: 1260004-46-3 Catalog No: AG000QPK MDL No:
Product Description
Catalog Number:
AG000QPK
Chemical Name:
Benzeneacetic acid, α-amino-3-chloro-4-hydroxy-5-methoxy-
CAS Number:
1260004-46-3
Molecular Formula:
C9H10ClNO4
Molecular Weight:
231.6330
IUPAC Name:
2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H10ClNO4/c1-15-6-3-4(7(11)9(13)14)2-5(10)8(6)12/h2-3,7,12H,11H2,1H3,(H,13,14)
InChI Key:
ONYBTQBQSIQYOF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)Cl)C(C(=O)O)N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.632g/mol
Monoisotopic Mass:
231.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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