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23694-49-7 | 1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]-
CAS No: 23694-49-7 Catalog No: AG002O6S MDL No:
Product Description
Catalog Number:
AG002O6S
Chemical Name:
1H-Pyrrole, 1-[(4-methoxyphenyl)methyl]-
CAS Number:
23694-49-7
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
1-[(4-methoxyphenyl)methyl]pyrrole
InChI:
InChI=1S/C12H13NO/c1-14-12-6-4-11(5-7-12)10-13-8-2-3-9-13/h2-9H,10H2,1H3
InChI Key:
KTEJFHVPVLTJLC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1cccc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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