200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 177696-82-1
177696-82-1 | Benzoic acid, 2-hydroxy-, hexenyl ester (9CI)
CAS No: 177696-82-1 Catalog No: AG0025FV MDL No:
Product Description
Catalog Number:
AG0025FV
Chemical Name:
Benzoic acid, 2-hydroxy-, hexenyl ester (9CI)
CAS Number:
177696-82-1
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
hex-1-enyl 2-hydroxybenzoate
InChI:
InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-10,14H,2-4H2,1H3
InChI Key:
XOYYHTTVCNEROD-UHFFFAOYSA-N
SMILES:
CCCCC=COC(=O)c1ccccc1O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.