sales@angenesci.com
Login | Register
logo
Structures Search
Home Carbonyls 4-((But-3-en-1-yloxy)carbonyl)benzoic acid

4-((But-3-en-1-yloxy)carbonyl)benzoic acid

CAS No.:
62680-74-4
Catalog Number:
AG00ER3J
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$262
- +
1g
95%
In Stock USA
United States
$730
- +
Product Description
Catalog Number:
AG00ER3J
Chemical Name:
4-((But-3-en-1-yloxy)carbonyl)benzoic acid
CAS Number:
62680-74-4
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD18976100
IUPAC Name:
4-but-3-enoxycarbonylbenzoic acid
InChI:
InChI=1S/C12H12O4/c1-2-3-8-16-12(15)10-6-4-9(5-7-10)11(13)14/h2,4-7H,1,3,8H2,(H,13,14)
InChI Key:
TYARZXLQTHCHIP-UHFFFAOYSA-N
SMILES:
C=CCCOC(=O)c1ccc(cc1)C(=O)O
EC Number:
263-690-4
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties