200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116491-54-4
116491-54-4 | Carbamic acid, N-[2-(1-hexyn-1-yl)phenyl]-, methyl ester
CAS No: 116491-54-4 Catalog No: AG000CMV MDL No:
Product Description
Catalog Number:
AG000CMV
Chemical Name:
Carbamic acid, N-[2-(1-hexyn-1-yl)phenyl]-, methyl ester
CAS Number:
116491-54-4
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
methyl N-(2-hex-1-ynylphenyl)carbamate
InChI:
InChI=1S/C14H17NO2/c1-3-4-5-6-9-12-10-7-8-11-13(12)15-14(16)17-2/h7-8,10-11H,3-5H2,1-2H3,(H,15,16)
InChI Key:
XPVRZUMPSCNLGV-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccccc1NC(=O)OC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.