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88920-24-5 | 2-((4-Methoxybenzyl)oxy)acetic acid
CAS No: 88920-24-5 Catalog No: AG00488I MDL No:MFCD01861881
Product Description
Catalog Number:
AG00488I
Chemical Name:
2-((4-Methoxybenzyl)oxy)acetic acid
CAS Number:
88920-24-5
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD01861881
IUPAC Name:
2-[(4-methoxyphenyl)methoxy]acetic acid
InChI:
InChI=1S/C10H12O4/c1-13-9-4-2-8(3-5-9)6-14-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key:
XNXTXCKLOBWPQA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COCC(=O)O
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:
1.1
Literature
| Title | Journal |
|---|---|
| Total synthesis of epothilones using functionalised allylstannanes for remote stereocontrol. | Organic & biomolecular chemistry 20121021 |
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