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114031-67-3 | Propanoic acid, 2,2-dimethyl-, 4-(4-hydroxybenzoyl)phenyl ester
CAS No: 114031-67-3 Catalog No: AG000ACP MDL No:
Product Description
Catalog Number:
AG000ACP
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 4-(4-hydroxybenzoyl)phenyl ester
CAS Number:
114031-67-3
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
[4-(4-hydroxybenzoyl)phenyl] 2,2-dimethylpropanoate
InChI:
InChI=1S/C18H18O4/c1-18(2,3)17(21)22-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11,19H,1-3H3
InChI Key:
KSBBNJZVDXSJKO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(=O)c1ccc(cc1)OC(=O)C(C)(C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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