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113597-79-8 | Propanoic acid, 2-hydroxy-, 4-methoxyphenyl ester
CAS No: 113597-79-8 Catalog No: AG00093A MDL No:
Product Description
Catalog Number:
AG00093A
Chemical Name:
Propanoic acid, 2-hydroxy-, 4-methoxyphenyl ester
CAS Number:
113597-79-8
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
(4-methoxyphenyl) 2-hydroxypropanoate
InChI:
InChI=1S/C10H12O4/c1-7(11)10(12)14-9-5-3-8(13-2)4-6-9/h3-7,11H,1-2H3
InChI Key:
BJDHYYHAHHJPRT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OC(=O)C(O)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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