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99865-71-1 | 3-(4-HYDROXY-3-METHOXY-PHENYL)-2-METHYL-ACRYLIC ACID
CAS No: 99865-71-1 Catalog No: AG003W0Z MDL No:
Product Description
Catalog Number:
AG003W0Z
Chemical Name:
3-(4-HYDROXY-3-METHOXY-PHENYL)-2-METHYL-ACRYLIC ACID
CAS Number:
99865-71-1
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)-2-methylprop-2-enoic acid
InChI:
InChI=1S/C11H12O4/c1-7(11(13)14)5-8-3-4-9(12)10(6-8)15-2/h3-6,12H,1-2H3,(H,13,14)
InChI Key:
YHOAZFMXZXWRHC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C=C(C(=O)O)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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