Name: Name:3-Acetylamino-adamantane-1-carboxylic acid
Brand: Angene
SKU: AG00EIT7
Rating: 90 (10 reviews)

3-Acetylamino-adamantane-1-carboxylic acid

CAS No.:

6240-00-2

Catalog Number:

AG00EIT7

Molecular Formula:

C13H19NO3

Molecular Weight:

237.2949

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Purity

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United States

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Catalog Number:

AG00EIT7

Chemical Name:

3-Acetylamino-adamantane-1-carboxylic acid

CAS Number:

6240-00-2

Molecular Formula:

C13H19NO3

Molecular Weight:

237.2949

MDL Number:

MFCD00154633

IUPAC Name:

3-acetamidoadamantane-1-carboxylic acid

InChI:

InChI=1S/C13H19NO3/c1-8(15)14-13-5-9-2-10(6-13)4-12(3-9,7-13)11(16)17/h9-10H,2-7H2,1H3,(H,14,15)(H,16,17)

InChI Key:

XBMPXAYRLNNWET-UHFFFAOYSA-N

SMILES:

CC(=O)N[C@]12C[C@@H]3C[C@H](C1)C[C@](C2)(C3)C(=O)O

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.299g/mol

Monoisotopic Mass:

237.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9