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20811-60-3 | Propanoic acid, 3-(4-methoxyphenoxy)-
CAS No: 20811-60-3 Catalog No: AG002JHP MDL No:MFCD00020515
Product Description
Catalog Number:
AG002JHP
Chemical Name:
Propanoic acid, 3-(4-methoxyphenoxy)-
CAS Number:
20811-60-3
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00020515
IUPAC Name:
3-(4-methoxyphenoxy)propanoic acid
InChI:
InChI=1S/C10H12O4/c1-13-8-2-4-9(5-3-8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:
SGTCAUQLJIKBMM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCCC(=O)O
NSC Number:
153948
Properties
Complexity:
173
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:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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