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METHYL1-METHYL-1,3A,4,11C-TETRAHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOLE-3-CARBOXYLATE

METHYL1-METHYL-1,3A,4,11C-TETRAHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOLE-3-CARBOXYLATE structure

CAS No:
318247-28-8
Formula:
C17H17NO4
Chemical Name:
METHYL1-METHYL-1,3A,4,11C-TETRAHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOLE-3-CARBOXYLATE
Synonyms:
METHYL 1-METHYL-1,3A,4,11C-TETRAHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOLE-3-CARBOXYLATE;methyl (13S,14R,17R)-16-methyl-11,15-dioxa-16-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(10),2(7),3,5,8-pentaene-14-carboxylate;3H-Naphtho[1',2':5,6]pyrano[4,3-c]isoxazole-3-carboxylic acid, 1,3a,4,11c-tetrahydro-1-methyl-, methyl ester, (3R,3aS,11cR)-rel- (9CI)

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METHYL1-METHYL-1,3A,4,11C-TETRAHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOLE-3-CARBOXYLATE Basic Attributes

Molecular Weight：

299.32

Exact Mass：

299.11575802

Characteristics

Density：

1.271±0.06 g/cm3

Melting Point：

137-139°C

Boiling Point：

427.7±55.0 °C(Predicted)

PKA：

-0.06±0.40

Computed Properties

Molecular Weight:299.32
XLogP3:2.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:299.11575802
Monoisotopic Mass:299.11575802
Topological Polar Surface Area:48
Heavy Atom Count:22
Complexity:442
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYL1-METHYL-1,3A,4,11C-TETRAHYDRO-3H-BENZO[5,6]CHROMENO[4,3-C]ISOXAZOLE-3-CARBOXYLATE

Basic Attributes
Characteristics
Computed Properties

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