Name: Name:4-(Azepan-1-ylmethyl)-5-methylisoxazole-3-carboxylic acid
Brand: Angene
SKU: AG00GVN6
Rating: 90 (10 reviews)

4-(Azepan-1-ylmethyl)-5-methylisoxazole-3-carboxylic acid

CAS No.:

893750-11-3

Catalog Number:

AG00GVN6

Molecular Formula:

C12H18N2O3

Molecular Weight:

238.2829

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Purity

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Price(USD)

Quantity

95%

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United States

$358

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Catalog Number:

AG00GVN6

Chemical Name:

4-(Azepan-1-ylmethyl)-5-methylisoxazole-3-carboxylic acid

CAS Number:

893750-11-3

Molecular Formula:

C12H18N2O3

Molecular Weight:

238.2829

MDL Number:

MFCD06804406

IUPAC Name:

4-(azepan-1-ylmethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

InChI:

InChI=1S/C12H18N2O3/c1-9-10(11(12(15)16)13-17-9)8-14-6-4-2-3-5-7-14/h2-8H2,1H3,(H,15,16)

InChI Key:

QFKKRPOPMAWEBA-UHFFFAOYSA-N

SMILES:

Cc1onc(c1CN1CCCCCC1)C(=O)O

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.287g/mol

Monoisotopic Mass:

238.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6