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79694-16-9 | 2-Hydroxy-2-(4-propoxyphenyl)acetic acid
CAS No: 79694-16-9 Catalog No: AG005IMO MDL No:MFCD07368282
Product Description
Catalog Number:
AG005IMO
Chemical Name:
2-Hydroxy-2-(4-propoxyphenyl)acetic acid
CAS Number:
79694-16-9
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
MDL Number:
MFCD07368282
IUPAC Name:
2-hydroxy-2-(4-propoxyphenyl)acetic acid
InChI:
InChI=1S/C11H14O4/c1-2-7-15-9-5-3-8(4-6-9)10(12)11(13)14/h3-6,10,12H,2,7H2,1H3,(H,13,14)
InChI Key:
UBHMYNPCDNGWBM-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(C(=O)O)O
EC Number:
616-721-4
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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