Δ7-Dihydroisopimaric acid

CAT: 1299-RM-P130314-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P130314-01Size:10 mg

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CAS Number

84163-64-4

Synonyms

(1R,4aR,4bS,7S,10aR) -7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid

Molecular Formula

C20H32O2

Molecular Weight

304.47

Chemical Information

5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

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CAS Number	84163-64-4
PubChem CID	2794755
IUPAC Name	5-fluoro-3-piperidin-4-yl-1,2-benzoxazole
Molecular Formula	C12H13FN2O
Molecular Weight	220.24
XLogP	2
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	245

SMILES

C1CNCCC1C2=NOC3=C2C=C(C=C3)F

InChI

InChI=1S/C12H13FN2O/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2

InChIKey

GGRZCCWFABLKCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 84163-64-4

CID: 2794755

Formula: C12H13FN2O

MW: 220.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	220.24
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.10119120
Monoisotopic Mass	220.10119120
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-P130312-01	Dihydroisopimaric Acid
RG-A130900-01	7-Aminodesacetoxycephalosporanic Acid
RG-M052058-01	7-Methyloctanoic Acid
RG-A263014-01	Oct-7-Enoic Acid
RM-P281007-01	Phosphoric Acid Impurity 7
RM-Z151207-01	Zoledronic Acid Impurity 7
RM-D093701-01	3α,7α-Dihydroxycoprostanic Acid
RM-L131107-01	Malic Acid Impurity 7
RM-A048207-01	Aspartic Acid Impurity 7
RM-T090307-01	Thioctic Acid Impurity 7

Catalog	Name
HY-133614	Dihydroisopimaric acid
BML-EI112-0050	7,7-Dimethyleicosadienoic acid
H998456	Heptanoic-7,7,7-d3 Acid
HY-W001494-01	7-Methoxy-7-oxoheptanoic acid
sc-200707A	7,7-Dimethyleicosadienoic Acid (DEDA)
OR1049856-01	7- (7-Aminoheptanamido) heptanoic acid
B1652-50	7-Aminocephalosporanic acid
B6232-5.1	7-Chlorokynurenic acid
HY-W265644	7-Oxoheptanoic acid
HY-W002042-01	7-Aminoheptanoic acid