200,000+ products from a single source!
sales@angenechem.com
123958-40-7 | Acetic acid, 2-[(5-oxo-5H-benzocyclohepten-4-yl)oxy]-
CAS No: 123958-40-7 Catalog No: AG000L9S MDL No:
Product Description
Catalog Number:
AG000L9S
Chemical Name:
Acetic acid, 2-[(5-oxo-5H-benzocyclohepten-4-yl)oxy]-
CAS Number:
123958-40-7
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
2-(5-oxobenzo[7]annulen-4-yl)oxyacetic acid
InChI:
InChI=1S/C13H10O4/c14-10-6-2-1-4-9-5-3-7-11(13(9)10)17-8-12(15)16/h1-7H,8H2,(H,15,16)
InChI Key:
MMYVODITJBQRBR-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccc2c1c(=O)cccc2
UNII:
69N9JD028H
NSC Number:
680712
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^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.