2-Heptynoic Acid

CAT: 0024-sc-486873Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-486873Size:1 mL

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CAS Number

1483-67-6

Chemical Information

Hept-2-ynoic acid

CAS Number	1483-67-6
PubChem CID	73869
IUPAC Name	hept-2-ynoic acid
Molecular Formula	C7H10O2
Molecular Weight	126.15
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	147

SMILES

CCCCC#CC(=O)O

InChI

InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2-4H2,1H3,(H,8,9)

InChIKey

UEERQXQKEJPYBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1483-67-6

CID: 73869

Formula: C7H10O2

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	126.068079557
Monoisotopic Mass	126.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	147
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
sc-239098	6-Heptynoic acid
sc-490819	7-Hydroxy-5-heptynoic Acid Methyl Ester
sc-288120	2-Heptenoic Acid
sc-326336	Boc-2-amino heptanoic acid
sc-326336A	Boc-2-amino heptanoic acid
sc-215142	Heptanoic acid
sc-215142A	Heptanoic acid
sc-504491	2-tert-Butyloxycarbonylamino-5-heptenoic Acid
sc-480609	2-Amino-6-heptenoic Acid Hydrochloride
sc-289159	3-Heptenoic Acid

Catalog	Name
OR937129-01	2-Heptynoic acid
GTR19253724-01	6-Heptynoic acid
TRC-H265715-2.5G	6-Heptynoic Acid Methyl Ester
439712-01	7-Hydroxy-5-heptynoic Acid Methyl Ester
TRC-H942798-100MG	(5S)-5-Hydroxy-6-heptynoic Acid 1-Methylethyl Ester
437448-01	(5S) -5-Hydroxy-6-heptynoic Acid 1-Methylethyl Ester
437033	5-Oxo-7- (trimethylsilyl) -6-heptynoic Acid 1-Methylethyl Ester
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)