200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 130693-96-8
130693-96-8 | Butanedioic acid, (1-naphthalenylmethyl)-, 1-methyl ester, (S)- (9CI)
CAS No: 130693-96-8 Catalog No: AG000UT8 MDL No:
Product Description
Catalog Number:
AG000UT8
Chemical Name:
Butanedioic acid, (1-naphthalenylmethyl)-, 1-methyl ester, (S)- (9CI)
CAS Number:
130693-96-8
Molecular Formula:
C16H15O4-
Molecular Weight:
271.2879
IUPAC Name:
(3S)-4-methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid
InChI:
InChI=1S/C16H16O4/c1-20-16(19)13(10-15(17)18)9-12-7-4-6-11-5-2-3-8-14(11)12/h2-8,13H,9-10H2,1H3,(H,17,18)/t13-/m0/s1
InChI Key:
LJSMGWBQOFWAPJ-ZDUSSCGKSA-N
SMILES:
COC(=O)[C@@H](Cc1cccc2c1cccc2)CC(=O)[O-]
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.