200,000+ products from a single source!
sales@angenechem.com
55453-87-7 | 2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
CAS No: 55453-87-7 Catalog No: AG003A98 MDL No:MFCD00242952
Product Description
Catalog Number:
AG003A98
Chemical Name:
2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
CAS Number:
55453-87-7
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD00242952
IUPAC Name:
2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid
InChI:
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)
InChI Key:
QFGMXJOBTNZHEL-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
EC Number:
611-268-9
UNII:
2KH283Q0Z5
NSC Number:
300907
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.