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19717-25-0 | 1H-Pyrrole-2-carboxylic acid, 1-[2-(3,4,5-trimethoxyphenyl)ethyl]-
CAS No: 19717-25-0 Catalog No: AG002AN3 MDL No:
Product Description
Catalog Number:
AG002AN3
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-[2-(3,4,5-trimethoxyphenyl)ethyl]-
CAS Number:
19717-25-0
Molecular Formula:
C16H19NO5
Molecular Weight:
305.3258
IUPAC Name:
1-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrrole-2-carboxylic acid
InChI:
InChI=1S/C16H19NO5/c1-20-13-9-11(10-14(21-2)15(13)22-3)6-8-17-7-4-5-12(17)16(18)19/h4-5,7,9-10H,6,8H2,1-3H3,(H,18,19)
InChI Key:
DDYNENGLSGKEPO-UHFFFAOYSA-N
SMILES:
COc1cc(CCn2cccc2C(=O)O)cc(c1OC)OC
UNII:
KWD7M7UMPY
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.33g/mol
Monoisotopic Mass:
305.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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