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21150-12-9 | (±)-m-Methoxymandelic acid
CAS No: 21150-12-9 Catalog No: AG003BE9 MDL No:MFCD00004229
Product Description
Catalog Number:
AG003BE9
Chemical Name:
(±)-m-Methoxymandelic acid
CAS Number:
21150-12-9
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00004229
IUPAC Name:
2-hydroxy-2-(3-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H10O4/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
InChI Key:
YTRUJRPALUALSN-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(C(=O)O)O
EC Number:
244-243-2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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