200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 174000-98-7
174000-98-7 | 2-Butynoic acid, 4-[(methoxycarbonyl)oxy]-, methyl ester
CAS No: 174000-98-7 Catalog No: AG001ZDR MDL No:
Product Description
Catalog Number:
AG001ZDR
Chemical Name:
2-Butynoic acid, 4-[(methoxycarbonyl)oxy]-, methyl ester
CAS Number:
174000-98-7
Molecular Formula:
C7H8O5
Molecular Weight:
172.1354
IUPAC Name:
methyl 4-methoxycarbonyloxybut-2-ynoate
InChI:
InChI=1S/C7H8O5/c1-10-6(8)4-3-5-12-7(9)11-2/h5H2,1-2H3
InChI Key:
OHBNNXWQSBMJSW-UHFFFAOYSA-N
SMILES:
COC(=O)OCC#CC(=O)OC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.136g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.