200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 100494-47-1
100494-47-1 | Benzenecarboperoxoic acid, methyl- (9CI)
CAS No: 100494-47-1 Catalog No: AG000254 MDL No:
Product Description
Catalog Number:
AG000254
Chemical Name:
Benzenecarboperoxoic acid, methyl- (9CI)
CAS Number:
100494-47-1
Molecular Formula:
C8H8O3
Molecular Weight:
152.1473
IUPAC Name:
2-methylbenzenecarboperoxoic acid
InChI:
InChI=1S/C8H8O3/c1-6-4-2-3-5-7(6)8(9)11-10/h2-5,10H,1H3
InChI Key:
DNEXRQSSNZPAJJ-UHFFFAOYSA-N
SMILES:
OOC(=O)c1ccccc1C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.149g/mol
Monoisotopic Mass:
152.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.