200,000+ products from a single source!
sales@angenechem.com
128156-54-7 | 4-BENZOXAZOLECARBOXYLIC ACID, METHYL ESTER
CAS No: 128156-54-7 Catalog No: AG000XUO MDL No:MFCD11110250
Product Description
Catalog Number:
AG000XUO
Chemical Name:
4-BENZOXAZOLECARBOXYLIC ACID, METHYL ESTER
CAS Number:
128156-54-7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD11110250
IUPAC Name:
methyl 1,3-benzoxazole-4-carboxylate
InChI:
InChI=1S/C9H7NO3/c1-12-9(11)6-3-2-4-7-8(6)10-5-13-7/h2-5H,1H3
InChI Key:
XYHIHNFBMYROIE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nco2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.