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136705-25-4 | Butanedioic acid, 2-(4-hydroxyphenyl)-, 1,4-diMethyl ester
CAS No: 136705-25-4 Catalog No: AG00128D MDL No:
Product Description
Catalog Number:
AG00128D
Chemical Name:
Butanedioic acid, 2-(4-hydroxyphenyl)-, 1,4-diMethyl ester
CAS Number:
136705-25-4
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
dimethyl 2-(4-hydroxyphenyl)butanedioate
InChI:
InChI=1S/C12H14O5/c1-16-11(14)7-10(12(15)17-2)8-3-5-9(13)6-4-8/h3-6,10,13H,7H2,1-2H3
InChI Key:
DNPMXTYMJAPZNT-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)O)CC(=O)OC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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