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2769-90-6 | 2-Propenoic acid, 3-(1-methyl-1H-pyrrol-2-yl)-, ethyl ester, (2E)-
CAS No: 2769-90-6 Catalog No: AG002UHI MDL No:
Product Description
Catalog Number:
AG002UHI
Chemical Name:
2-Propenoic acid, 3-(1-methyl-1H-pyrrol-2-yl)-, ethyl ester, (2E)-
CAS Number:
2769-90-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
ethyl (E)-3-(1-methylpyrrol-2-yl)prop-2-enoate
InChI:
InChI=1S/C10H13NO2/c1-3-13-10(12)7-6-9-5-4-8-11(9)2/h4-8H,3H2,1-2H3/b7-6+
InChI Key:
DPBAVWLGLSPMIN-VOTSOKGWSA-N
SMILES:
CCOC(=O)/C=C/c1cccn1C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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