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866134-53-4

866134-53-4 structural image
Product Name: 6-(CARBOXYMETHYL)-4-[(4-METHOXYPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLIC ACID
Formula: C18H17NO8S
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COMPUTED DESCRIPTORS

Molecular Weight 407.4 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 407.06748767 g/mol
Monoisotopic Mass 407.06748767 g/mol
Topological Polar Surface Area 139 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 682
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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