200,000+ products from a single source!
sales@angenechem.com
189886-85-9 | 2a(3H)-Acenaphthylenecarboxylic acid, decahydro-, phenylmethyl ester
CAS No: 189886-85-9 Catalog No: AG002E32 MDL No:
Product Description
Catalog Number:
AG002E32
Chemical Name:
2a(3H)-Acenaphthylenecarboxylic acid, decahydro-, phenylmethyl ester
CAS Number:
189886-85-9
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
benzyl 2,3,4,5,5a,6,7,8,8a,8b-decahydro-1H-acenaphthylene-3a-carboxylate
InChI:
InChI=1S/C20H26O2/c21-19(22-14-15-6-2-1-3-7-15)20-12-5-10-16-8-4-9-17(11-13-20)18(16)20/h1-3,6-7,16-18H,4-5,8-14H2
InChI Key:
TWJJTUMJQFBAMF-UHFFFAOYSA-N
SMILES:
O=C(C12CCCC3C2C(CC1)CCC3)OCc1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.