Home Other Building Blocks 4-acetyl-3-hydroxybenzoic acid

4-acetyl-3-hydroxybenzoic acid

CAS No.:
102297-62-1
Catalog Number:
AG0091Q5
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
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Product Description
Catalog Number:
AG0091Q5
Chemical Name:
4-acetyl-3-hydroxybenzoic acid
CAS Number:
102297-62-1
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00854034
IUPAC Name:
4-acetyl-3-hydroxybenzoic acid
InChI:
InChI=1S/C9H8O4/c1-5(10)7-3-2-6(9(12)13)4-8(7)11/h2-4,11H,1H3,(H,12,13)
InChI Key:
MKTAASUBWXZBNB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)O)C(=O)C
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties