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6304-89-8,MFCD00016699
Catalog No.:AA003IQ4
6304-89-8 | 3-Acetoxybenzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$22.00   $15.00
- +
5g
98%
in stock  
$50.00   $35.00
- +
25g
98%
in stock  
$136.00   $95.00
- +
100g
98%
in stock  
$413.00   $289.00
- +
500g
98%
in stock  
$1,556.00   $1,089.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IQ4
Chemical Name:
3-Acetoxybenzoic acid
CAS Number:
6304-89-8
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD00016699
IUPAC Name:
3-acetyloxybenzoic acid
InChI:
InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
NGMYCWFGNSXLMP-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cccc(c1)C(=O)O
NSC Number:
43147
Properties
Computed Properties
 
Complexity:
212  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-Acetoxybenzoic acid 
6304-89-8 
3-acetoxy-benzoic acid 
Benzoic acid, m-acetoxy 
AC1Q1LAA 
AC1Q1LAB 
AC1L61IE 
AC1Q60SG 
SCHEMBL258461 
CTK5B7285 
DTXSID90285889 
NGMYCWFGNSXLMP-UHFFFAOYSA-N 
3-(acetyloxy)benzoic acid 
ZINC403231 
NSC-43147 
AKOS005068238 
MCULE-8230881692 
NE55222 
TRA0039363 
VZ26212 
AJ-21993 
SC-95060 
DB-054392 
3-acetyloxybenzoic acid 
TC-169870 
FT-0636086 
ST51038474 
X8019 
EN300-53676 
I01-18527 
F0001-1711 
Z1259273332 
3-ACETOXYBENZOICACID 
C9H8O4 
3-Acetoxybenzoic acid, 98% 
AR-1F1573 
CID238669 
69672-40-8 
Benzoic acid,3-(acetyloxy)- 
NSC43147 
3-Acetoxybenzoesaure 
ACMC-20anav 
3-acetoxy benzoic acid 
Literature
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