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120030-35-5 | 2H-1,4-Benzoxazine, 3,6-dimethyl-
CAS No: 120030-35-5 Catalog No: AG000Q4H MDL No:
Product Description
Catalog Number:
AG000Q4H
Chemical Name:
2H-1,4-Benzoxazine, 3,6-dimethyl-
CAS Number:
120030-35-5
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
3,6-dimethyl-2H-1,4-benzoxazine
InChI:
InChI=1S/C10H11NO/c1-7-3-4-10-9(5-7)11-8(2)6-12-10/h3-5H,6H2,1-2H3
InChI Key:
IKWLMRAPSRONPR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)N=C(CO2)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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