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146135-07-1 | Carbamic acid, N-dodecyl-, 2-propyn-1-yl ester
CAS No: 146135-07-1 Catalog No: AG001DQA MDL No:
Product Description
Catalog Number:
AG001DQA
Chemical Name:
Carbamic acid, N-dodecyl-, 2-propyn-1-yl ester
CAS Number:
146135-07-1
Molecular Formula:
C16H29NO2
Molecular Weight:
267.4070
IUPAC Name:
prop-2-ynyl N-dodecylcarbamate
InChI:
InChI=1S/C16H29NO2/c1-3-5-6-7-8-9-10-11-12-13-14-17-16(18)19-15-4-2/h2H,3,5-15H2,1H3,(H,17,18)
InChI Key:
RIFNJJTZEQXNRM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCNC(=O)OCC#C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.22g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.413g/mol
Monoisotopic Mass:
267.22g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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