(5E) -5-Heptenoic acid

CAT: 0926-TAA77690-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA77690-01Size:250 mg

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CAS Number

18776-90-4

MDL Number

MFCD20617173

Smiles

CC=CCCCC (=O) O

Molecular Formula

C7H12O2

Molecular Weight

128.17 g/mol

Controlled

Chemical Information

Delta-heptenoic acid

Delta-heptenoic acid is a medium-chain fatty acid.

CAS Number	18776-90-4
PubChem CID	5282712
IUPAC Name	(E)-hept-5-enoic acid
Molecular Formula	C7H12O2
Molecular Weight	128.17
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

C/C=C/CCCC(=O)O

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+

InChIKey

KPSZWAJWFMFMFF-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 18776-90-4

CID: 5282712

Formula: C7H12O2

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZAA28645-01	6-Methyl-5-heptenoic acid
FH184101-01	(6R) -6-Hydroxy-3-heptenoic acid
IC19633-01	(5E) -Calcipotriene
NKD81240-01	N-[ (5E) -Spiro[2.5]octan-5-ylidene]hydroxylamine
YXB57497-01	(5E) -7-Oxozeaenol
ID21358-01	(5E) -2,2-Dimethyl-7-[ (1-naphthalenylmethyl) amino]-5-hepten-3-ynoic acid
ID19739-01	(5E) -2,2-Dimethyl-7-[methyl (1-naphthalenylmethyl) amino]-5-hepten-3-ynoic acid
FH33951-01	Heptanoic acid
IA71943-01	AtorvastatinN- (3,5-dihydroxy-7-heptanoic acid) amide
DFA71990-01	7- (3- (3-Hydroxy-4- (4'-iodophenoxy) -1-butenyl) -7-oxabicyclo (2.2.1) heptan-2-yl) -5'-heptenoic acid

Catalog	Name
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