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141103-94-8 | 2H-1,4-Benzoxazine-7-methanol, 3,4-dihydro-4-methyl-
CAS No: 141103-94-8 Catalog No: AG001FWA MDL No:
Product Description
Catalog Number:
AG001FWA
Chemical Name:
2H-1,4-Benzoxazine-7-methanol, 3,4-dihydro-4-methyl-
CAS Number:
141103-94-8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanol
InChI:
InChI=1S/C10H13NO2/c1-11-4-5-13-10-6-8(7-12)2-3-9(10)11/h2-3,6,12H,4-5,7H2,1H3
InChI Key:
AJJDPMXXWDOTAF-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)OCCN2C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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