200,000+ products from a single source!
sales@angenechem.com
101901-08-0 | Pyrano[3,4-b]indole-1-acetic acid, 1-ethyl-1,3,4,9-tetrahydro-8-(1-hydroxyethyl)-
CAS No: 101901-08-0 Catalog No: AG0005VP MDL No:
Product Description
Catalog Number:
AG0005VP
Chemical Name:
Pyrano[3,4-b]indole-1-acetic acid, 1-ethyl-1,3,4,9-tetrahydro-8-(1-hydroxyethyl)-
CAS Number:
101901-08-0
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
IUPAC Name:
2-[1-ethyl-8-(1-hydroxyethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
InChI:
InChI=1S/C17H21NO4/c1-3-17(9-14(20)21)16-13(7-8-22-17)12-6-4-5-11(10(2)19)15(12)18-16/h4-6,10,18-19H,3,7-9H2,1-2H3,(H,20,21)
InChI Key:
IIJKSRXOHAISPV-UHFFFAOYSA-N
SMILES:
CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.