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119600-38-3 | Benzenehexanoic acid, 4-methoxy-γ,ε-dioxo-
CAS No: 119600-38-3 Catalog No: AG000P92 MDL No:MFCD19327627
Product Description
Catalog Number:
AG000P92
Chemical Name:
Benzenehexanoic acid, 4-methoxy-γ,ε-dioxo-
CAS Number:
119600-38-3
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
MDL Number:
MFCD19327627
IUPAC Name:
6-(4-methoxyphenyl)-4,6-dioxohexanoic acid
InChI:
InChI=1S/C13H14O5/c1-18-11-5-2-9(3-6-11)12(15)8-10(14)4-7-13(16)17/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)
InChI Key:
YGALNQCDTCUKIC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC(=O)CCC(=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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