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13894-28-5 | 2-Propenoic acid, 3-(diethylamino)-, ethyl ester, (2E)-
CAS No: 13894-28-5 Catalog No: AG0019WD MDL No:
Product Description
Catalog Number:
AG0019WD
Chemical Name:
2-Propenoic acid, 3-(diethylamino)-, ethyl ester, (2E)-
CAS Number:
13894-28-5
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
ethyl (E)-3-(diethylamino)prop-2-enoate
InChI:
InChI=1S/C9H17NO2/c1-4-10(5-2)8-7-9(11)12-6-3/h7-8H,4-6H2,1-3H3/b8-7+
InChI Key:
ANTPVARYELNKNQ-BQYQJAHWSA-N
SMILES:
CCOC(=O)/C=C/N(CC)CC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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