Home Other Building Blocks Benzoic acid, 4-(2-oxiranyl)-

Benzoic acid, 4-(2-oxiranyl)-

CAS No.:
159262-71-2
Catalog Number:
AG001QKF
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001QKF
Chemical Name:
Benzoic acid, 4-(2-oxiranyl)-
CAS Number:
159262-71-2
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD20638543
IUPAC Name:
4-(oxiran-2-yl)benzoic acid
InChI:
InChI=1S/C9H8O3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2,(H,10,11)
InChI Key:
VCZAQQDKQNHPDZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1OC1
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties