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188177-37-9 | 4(3H)-Pyrimidinone, 6-[(phenylmethoxy)methyl]-
CAS No: 188177-37-9 Catalog No: AG002GQO MDL No:MFCD27946648
Product Description
Catalog Number:
AG002GQO
Chemical Name:
4(3H)-Pyrimidinone, 6-[(phenylmethoxy)methyl]-
CAS Number:
188177-37-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD27946648
IUPAC Name:
4-(phenylmethoxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H12N2O2/c15-12-6-11(13-9-14-12)8-16-7-10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H,13,14,15)
InChI Key:
QKUDVCRFJAGXAL-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc(c1)COCc1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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