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6972-53-8 | 1H-Pyrrole-1-ethanol,2,3,4,5-tetramethyl-
CAS No: 6972-53-8 Catalog No: AG005IRT MDL No:
Product Description
Catalog Number:
AG005IRT
Chemical Name:
1H-Pyrrole-1-ethanol,2,3,4,5-tetramethyl-
CAS Number:
6972-53-8
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
2-(2,3,4,5-tetramethylpyrrol-1-yl)ethanol
InChI:
InChI=1S/C10H17NO/c1-7-8(2)10(4)11(5-6-12)9(7)3/h12H,5-6H2,1-4H3
InChI Key:
GMCBLGWRWOBTEM-UHFFFAOYSA-N
SMILES:
OCCn1c(C)c(c(c1C)C)C
NSC Number:
62118
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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