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30735-87-6 | 2H-Cycloheptapyrimidine
CAS No: 30735-87-6 Catalog No: AG00313R MDL No:MFCD27957540
Product Description
Catalog Number:
AG00313R
Chemical Name:
2H-Cycloheptapyrimidine
CAS Number:
30735-87-6
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD27957540
IUPAC Name:
2H-cyclohepta[d]pyrimidine
InChI:
InChI=1S/C9H8N2/c1-2-4-8-6-10-7-11-9(8)5-3-1/h1-6H,7H2
InChI Key:
CEWGMSULPCPASR-UHFFFAOYSA-N
SMILES:
C1=CC=C2C(=NCN=C2)C=C1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.177g/mol
Monoisotopic Mass:
144.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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