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115941-82-7 | 2-Pentenoic acid, 4-(2-hydroxyphenyl)-4-methyl-, (2E)-
CAS No: 115941-82-7 Catalog No: AG000H4U MDL No:
Product Description
Catalog Number:
AG000H4U
Chemical Name:
2-Pentenoic acid, 4-(2-hydroxyphenyl)-4-methyl-, (2E)-
CAS Number:
115941-82-7
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
4-(2-hydroxyphenyl)-4-methylpent-2-enoic acid
InChI:
InChI=1S/C12H14O3/c1-12(2,8-7-11(14)15)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3,(H,14,15)
InChI Key:
SKURDBHBCWOQKB-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(c1ccccc1O)(C)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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