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618-83-7

618-83-7 | 5-Hydroxyisophthalic acid

CAS No: 618-83-7 Catalog No: AG003MSO MDL No:MFCD00002515

Product Description

Catalog Number:
AG003MSO
Chemical Name:
5-Hydroxyisophthalic acid
CAS Number:
618-83-7
Molecular Formula:
C8H6O5
Molecular Weight:
182.1302
MDL Number:
MFCD00002515
IUPAC Name:
5-hydroxybenzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChI Key:
QNVNLUSHGRBCLO-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)C(=O)O)C(=O)O
EC Number:
210-565-7
UNII:
95UD7B188K
NSC Number:
302088

Properties

Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
182.131g/mol
Monoisotopic Mass:
182.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

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