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34253-01-5

34253-01-5 | Methyl pyrimidine-5-carboxylate

CAS No: 34253-01-5 Catalog No: AG00362Z MDL No:MFCD06204205

Product Description

Catalog Number:
AG00362Z
Chemical Name:
Methyl pyrimidine-5-carboxylate
CAS Number:
34253-01-5
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD06204205
IUPAC Name:
methyl pyrimidine-5-carboxylate
InChI:
InChI=1S/C6H6N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-4H,1H3
InChI Key:
XMVNUAHPLDBEJH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncnc1
NSC Number:
77421

Properties

Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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