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Home Other Building Blocks 2,6-Dihydroxy-4-methylbenzoic acid

2,6-Dihydroxy-4-methylbenzoic acid

CAS No.:
480-67-1
Catalog Number:
AG00331P
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$67
- +
5g
99%
1 week
United States
$125
- +
25g
1 week
United States
$377
- +
Product Description
Catalog Number:
AG00331P
Chemical Name:
2,6-Dihydroxy-4-methylbenzoic acid
CAS Number:
480-67-1
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
MDL Number:
MFCD03086917
IUPAC Name:
2,6-dihydroxy-4-methylbenzoic acid
InChI:
InChI=1S/C8H8O4/c1-4-2-5(9)7(8(11)12)6(10)3-4/h2-3,9-10H,1H3,(H,11,12)
InChI Key:
YBZAVRDNSPUMFK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(O)cc(cc1O)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Chloropupukeanolides C-E: cytotoxic pupukeanane chlorides with a spiroketal skeleton from Pestalotiopsis fici. Chemistry (Weinheim an der Bergstrasse, Germany) 20110225
Chloropestolide A, an antitumor metabolite with an unprecedented spiroketal skeleton from Pestalotiopsis fici. Organic letters 20090702
Properties