Home Other Building Blocks L-4-Methoxymandelic acid

L-4-Methoxymandelic acid

CAS No.:
75172-66-6
Catalog Number:
AG003ACY
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
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Product Description
Catalog Number:
AG003ACY
Chemical Name:
L-4-Methoxymandelic acid
CAS Number:
75172-66-6
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00004233
IUPAC Name:
(2S)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)/t8-/m0/s1
InChI Key:
ITECRQOOEQWFPE-QMMMGPOBSA-N
SMILES:
COc1ccc(cc1)C(C(=O)O)O
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties