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191215-36-8 | 4-Pentynoic acid, 2-amino-2-(2-propyn-1-yl)-, ethyl ester
CAS No: 191215-36-8 Catalog No: AG002F3T MDL No:
Product Description
Catalog Number:
AG002F3T
Chemical Name:
4-Pentynoic acid, 2-amino-2-(2-propyn-1-yl)-, ethyl ester
CAS Number:
191215-36-8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
ethyl 2-amino-2-prop-2-ynylpent-4-ynoate
InChI:
InChI=1S/C10H13NO2/c1-4-7-10(11,8-5-2)9(12)13-6-3/h1-2H,6-8,11H2,3H3
InChI Key:
WBORFVHPRKKXJI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC#C)(CC#C)N
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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